N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-1-methylimidazole-4-sulfonamide

C15H25N5O3S — CID 119624053

IUPACN-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCC(=O)N2CCC(NCC3CC3)CC2)c1
InChIInChI=1S/C15H25N5O3S/c1-19-10-14(17-11-19)24(22,23)18-9-15(21)20-6-4-13(5-7-20)16-8-12-2-3-12/h10-13,16,18H,2-9H2,1H3
InChIKeyAKVSKVRCVYRJKY-UHFFFAOYSA-N
MW355.46 g/mol
LogP-0.31
Rot. Bonds7

About N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-1-methylimidazole-4-sulfonamide

N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-1-methylimidazole-4-sulfonamide (PubChem CID 119624053) has the molecular formula C15H25N5O3S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-1-methylimidazole-4-sulfonamide
PubChem CID119624053
Molecular FormulaC15H25N5O3S
Molecular Weight355.46 g/mol
Exact Mass355.17
IUPAC NameN-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCC(=O)N2CCC(NCC3CC3)CC2)c1
InChIInChI=1S/C15H25N5O3S/c1-19-10-14(17-11-19)24(22,23)18-9-15(21)20-6-4-13(5-7-20)16-8-12-2-3-12/h10-13,16,18H,2-9H2,1H3
InChIKeyAKVSKVRCVYRJKY-UHFFFAOYSA-N
XLogP-0.31
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-1-methylimidazole-4-sulfonamide (CID 119624053) is N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NCC(=O)N2CCC(NCC3CC3)CC2)c1.
What is the InChIKey of N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-1-methylimidazole-4-sulfonamide?
The InChIKey is AKVSKVRCVYRJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O3S/c1-19-10-14(17-11-19)24(22,23)18-9-15(21)20-6-4-13(5-7-20)16-8-12-2-3-12/h10-13,16,18H,2-9H2,1H3.
What are the key properties of N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-1-methylimidazole-4-sulfonamide?
N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-1-methylimidazole-4-sulfonamide has a molecular weight of 355.46 g/mol, XLogP of -0.31, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 119624053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).