(2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]pyrrolidine-2-carboxamide

C19H31N5O4S — CID 155880635

IUPAC(2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]pyrrolidine-2-carboxamide
SMILESO=C(NC1CCCCC1)[C@@H]1C[C@@H](O)CN1C1CCN(S(=O)(=O)c2cnc[nH]2)CC1
InChIInChI=1S/C19H31N5O4S/c25-16-10-17(19(26)22-14-4-2-1-3-5-14)24(12-16)15-6-8-23(9-7-15)29(27,28)18-11-20-13-21-18/h11,13-17,25H,1-10,12H2,(H,20,21)(H,22,26)/t16-,17+/m1/s1
InChIKeyLUXIJVMFGRJASG-SJORKVTESA-N
MW425.56 g/mol
LogP0.45
Rot. Bonds5

About (2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]pyrrolidine-2-carboxamide

(2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]pyrrolidine-2-carboxamide (PubChem CID 155880635) has the molecular formula C19H31N5O4S and a molecular weight of 425.56 g/mol. Its IUPAC name is (2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]pyrrolidine-2-carboxamide
PubChem CID155880635
Molecular FormulaC19H31N5O4S
Molecular Weight425.56 g/mol
Exact Mass425.21
IUPAC Name(2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]pyrrolidine-2-carboxamide
SMILESO=C(NC1CCCCC1)[C@@H]1C[C@@H](O)CN1C1CCN(S(=O)(=O)c2cnc[nH]2)CC1
InChIInChI=1S/C19H31N5O4S/c25-16-10-17(19(26)22-14-4-2-1-3-5-14)24(12-16)15-6-8-23(9-7-15)29(27,28)18-11-20-13-21-18/h11,13-17,25H,1-10,12H2,(H,20,21)(H,22,26)/t16-,17+/m1/s1
InChIKeyLUXIJVMFGRJASG-SJORKVTESA-N
XLogP0.45
TPSA118.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.56
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(1H-imidazol-5-ylsulfonyl)pyrrolidin-3-yl]acetamide
CID 113402571
1-(1H-imidazol-5-ylsulfonyl)pyrrolidine-3,4-diol
CID 106670954
(2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]pyrrolidine-2-carboxamide
CID 155881144
(3S)-1-(1H-imidazol-5-ylsulfonyl)pyrrolidine-3-carboxylic acid
CID 129369823
1-(1H-imidazol-5-ylsulfonyl)-N-(2-methylcyclohexyl)piperidine-3-carboxamide
CID 20862166
[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 20856427
(2R)-1-(1H-imidazol-5-ylsulfonyl)piperidine-2-carboxylic acid
CID 79034784
[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]methanamine;hydrochloride
CID 119963875
3-bromo-1-(1H-imidazol-5-ylsulfonyl)piperidine
CID 80676122
N-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 126887603
N-[2-(cyclohexen-1-yl)ethyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide
CID 3236723
N-(3-fluorophenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide
CID 20856425

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]pyrrolidine-2-carboxamide (CID 155880635) is (2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]pyrrolidine-2-carboxamide is O=C(NC1CCCCC1)[C@@H]1C[C@@H](O)CN1C1CCN(S(=O)(=O)c2cnc[nH]2)CC1.
What is the InChIKey of (2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]pyrrolidine-2-carboxamide?
The InChIKey is LUXIJVMFGRJASG-SJORKVTESA-N. The full InChI is InChI=1S/C19H31N5O4S/c25-16-10-17(19(26)22-14-4-2-1-3-5-14)24(12-16)15-6-8-23(9-7-15)29(27,28)18-11-20-13-21-18/h11,13-17,25H,1-10,12H2,(H,20,21)(H,22,26)/t16-,17+/m1/s1.
What are the key properties of (2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]pyrrolidine-2-carboxamide?
(2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]pyrrolidine-2-carboxamide has a molecular weight of 425.56 g/mol, XLogP of 0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 155880635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).