(2S)-2-[4-(propylsulfonylamino)piperidin-1-yl]-N-pyrimidin-2-ylpropanamide

C15H25N5O3S — CID 95326992

IUPAC(2S)-2-[4-(propylsulfonylamino)piperidin-1-yl]-N-pyrimidin-2-ylpropanamide
SMILESCCCS(=O)(=O)NC1CCN([C@@H](C)C(=O)Nc2ncccn2)CC1
InChIInChI=1S/C15H25N5O3S/c1-3-11-24(22,23)19-13-5-9-20(10-6-13)12(2)14(21)18-15-16-7-4-8-17-15/h4,7-8,12-13,19H,3,5-6,9-11H2,1-2H3,(H,16,17,18,21)/t12-/m0/s1
InChIKeyDJFQZRUSSHPKHG-LBPRGKRZSA-N
MW355.46 g/mol
LogP0.60
Rot. Bonds7

About (2S)-2-[4-(propylsulfonylamino)piperidin-1-yl]-N-pyrimidin-2-ylpropanamide

(2S)-2-[4-(propylsulfonylamino)piperidin-1-yl]-N-pyrimidin-2-ylpropanamide (PubChem CID 95326992) has the molecular formula C15H25N5O3S and a molecular weight of 355.46 g/mol. Its IUPAC name is (2S)-2-[4-(propylsulfonylamino)piperidin-1-yl]-N-pyrimidin-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-[4-(propylsulfonylamino)piperidin-1-yl]-N-pyrimidin-2-ylpropanamide
PubChem CID95326992
Molecular FormulaC15H25N5O3S
Molecular Weight355.46 g/mol
Exact Mass355.17
IUPAC Name(2S)-2-[4-(propylsulfonylamino)piperidin-1-yl]-N-pyrimidin-2-ylpropanamide
SMILESCCCS(=O)(=O)NC1CCN([C@@H](C)C(=O)Nc2ncccn2)CC1
InChIInChI=1S/C15H25N5O3S/c1-3-11-24(22,23)19-13-5-9-20(10-6-13)12(2)14(21)18-15-16-7-4-8-17-15/h4,7-8,12-13,19H,3,5-6,9-11H2,1-2H3,(H,16,17,18,21)/t12-/m0/s1
InChIKeyDJFQZRUSSHPKHG-LBPRGKRZSA-N
XLogP0.60
TPSA104.29 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 ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-pyrimidin-2-yl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanamide
CID 95292469
2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-pyrimidin-2-ylpropanamide
CID 78833853
(2S)-2-[4-(pyrimidin-2-ylamino)piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 95144394
2-(4-propanoyl-1,4-diazepan-1-yl)-N-pyrimidin-2-ylpropanamide
CID 78904136
(2S)-2-[4-(3,4-difluorophenyl)piperidin-1-yl]-N-pyrimidin-2-ylpropanamide
CID 95330628
2-(4-fluorophenyl)-2-[4-(propylsulfonylamino)piperidin-1-yl]acetic acid
CID 136550246
N-(1-propan-2-ylpiperidin-4-yl)butane-1-sulfonamide
CID 22772688
N-pyrimidin-2-yl-2-(2,2,6,6-tetramethylmorpholin-4-yl)propanamide
CID 136534692
N-cyclopentyl-4-(propylsulfonylamino)piperidine-1-carboxamide
CID 38287363
(2S)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-N-pyrimidin-2-ylpropanamide
CID 51726510
N-[1-[(1S)-1-naphthalen-2-ylethyl]piperidin-4-yl]propane-1-sulfonamide
CID 95307376
N-(4-pyrimidin-2-yloxycyclohexyl)propane-1-sulfonamide
CID 90633512

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(propylsulfonylamino)piperidin-1-yl]-N-pyrimidin-2-ylpropanamide?
The IUPAC name of (2S)-2-[4-(propylsulfonylamino)piperidin-1-yl]-N-pyrimidin-2-ylpropanamide (CID 95326992) is (2S)-2-[4-(propylsulfonylamino)piperidin-1-yl]-N-pyrimidin-2-ylpropanamide.
What is the SMILES notation for (2S)-2-[4-(propylsulfonylamino)piperidin-1-yl]-N-pyrimidin-2-ylpropanamide?
The canonical SMILES for (2S)-2-[4-(propylsulfonylamino)piperidin-1-yl]-N-pyrimidin-2-ylpropanamide is CCCS(=O)(=O)NC1CCN([C@@H](C)C(=O)Nc2ncccn2)CC1.
What is the InChIKey of (2S)-2-[4-(propylsulfonylamino)piperidin-1-yl]-N-pyrimidin-2-ylpropanamide?
The InChIKey is DJFQZRUSSHPKHG-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H25N5O3S/c1-3-11-24(22,23)19-13-5-9-20(10-6-13)12(2)14(21)18-15-16-7-4-8-17-15/h4,7-8,12-13,19H,3,5-6,9-11H2,1-2H3,(H,16,17,18,21)/t12-/m0/s1.
What are the key properties of (2S)-2-[4-(propylsulfonylamino)piperidin-1-yl]-N-pyrimidin-2-ylpropanamide?
(2S)-2-[4-(propylsulfonylamino)piperidin-1-yl]-N-pyrimidin-2-ylpropanamide has a molecular weight of 355.46 g/mol, XLogP of 0.60, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(propylsulfonylamino)piperidin-1-yl]-N-pyrimidin-2-ylpropanamide is sourced from PubChem (CID 95326992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).