N-[[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]sulfamoyl]cyclopropanamine

C12H25N3O2S — CID 97352590

IUPACN-[[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]sulfamoyl]cyclopropanamine
SMILESC[C@@H]1CCCN([C@@H](C)CNS(=O)(=O)NC2CC2)C1
InChIInChI=1S/C12H25N3O2S/c1-10-4-3-7-15(9-10)11(2)8-13-18(16,17)14-12-5-6-12/h10-14H,3-9H2,1-2H3/t10-,11+/m1/s1
InChIKeyUJMIFOKXHLYUNB-MNOVXSKESA-N
MW275.42 g/mol
LogP0.69
Rot. Bonds6

About N-[[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]sulfamoyl]cyclopropanamine

N-[[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]sulfamoyl]cyclopropanamine (PubChem CID 97352590) has the molecular formula C12H25N3O2S and a molecular weight of 275.42 g/mol. Its IUPAC name is N-[[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]sulfamoyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]sulfamoyl]cyclopropanamine
PubChem CID97352590
Molecular FormulaC12H25N3O2S
Molecular Weight275.42 g/mol
Exact Mass275.17
IUPAC NameN-[[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]sulfamoyl]cyclopropanamine
SMILESC[C@@H]1CCCN([C@@H](C)CNS(=O)(=O)NC2CC2)C1
InChIInChI=1S/C12H25N3O2S/c1-10-4-3-7-15(9-10)11(2)8-13-18(16,17)14-12-5-6-12/h10-14H,3-9H2,1-2H3/t10-,11+/m1/s1
InChIKeyUJMIFOKXHLYUNB-MNOVXSKESA-N
XLogP0.69
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-[(3S)-3-methylpiperidin-1-yl]propyl]piperidine-1-sulfonamide
CID 94061348
N-[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]morpholine-4-sulfonamide
CID 94024918
1-(3,4-dichlorophenyl)-N-[2-(3-methylpiperidin-1-yl)propyl]methanesulfonamide
CID 56514188
N-[(2S)-2-[(3S)-3-methylpiperidin-1-yl]propyl]-1-(4-nitrophenyl)methanesulfonamide
CID 52504590
2,2-dimethyl-N-[2-(3-methylpiperidin-1-yl)propyl]propan-1-amine
CID 115607178
2-methyl-N-[2-(3-methylpiperidin-1-yl)propyl]butan-1-amine
CID 115887280
N-[4-(3-methylpiperidin-1-yl)pentyl]cyclopropanamine
CID 62437779
N-[2-(3-methylpiperidin-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 47036190
(2S)-N-[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 94026257
N-[(2R)-2-[(3S)-3-methylpiperidin-1-yl]propyl]-4-methylsulfonylpiperazine-1-carboxamide
CID 98752850
N-[(2S)-2-[(3S)-3-methylpiperidin-1-yl]propyl]-4-methylsulfonylpiperazine-1-carboxamide
CID 94099206
N-[3-methyl-2-(3-methylpiperidin-1-yl)butyl]cyclopropanamine
CID 62437767

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]sulfamoyl]cyclopropanamine?
The IUPAC name of N-[[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]sulfamoyl]cyclopropanamine (CID 97352590) is N-[[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]sulfamoyl]cyclopropanamine.
What is the SMILES notation for N-[[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]sulfamoyl]cyclopropanamine?
The canonical SMILES for N-[[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]sulfamoyl]cyclopropanamine is C[C@@H]1CCCN([C@@H](C)CNS(=O)(=O)NC2CC2)C1.
What is the InChIKey of N-[[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]sulfamoyl]cyclopropanamine?
The InChIKey is UJMIFOKXHLYUNB-MNOVXSKESA-N. The full InChI is InChI=1S/C12H25N3O2S/c1-10-4-3-7-15(9-10)11(2)8-13-18(16,17)14-12-5-6-12/h10-14H,3-9H2,1-2H3/t10-,11+/m1/s1.
What are the key properties of N-[[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]sulfamoyl]cyclopropanamine?
N-[[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]sulfamoyl]cyclopropanamine has a molecular weight of 275.42 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]sulfamoyl]cyclopropanamine is sourced from PubChem (CID 97352590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).