N-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propyl]methanesulfonamide

C18H29N3O2S — CID 129279605

IUPACN-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propyl]methanesulfonamide
SMILESCC(CNS(C)(=O)=O)N1CCC(N[C@@H]2C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C18H29N3O2S/c1-14(13-19-24(2,22)23)21-10-8-16(9-11-21)20-18-12-17(18)15-6-4-3-5-7-15/h3-7,14,16-20H,8-13H2,1-2H3/t14?,17-,18+/m0/s1
InChIKeyVHLYSAMXJQKDAV-CXRLMVSZSA-N
MW351.52 g/mol
LogP1.53
Rot. Bonds7

About N-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propyl]methanesulfonamide

N-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propyl]methanesulfonamide (PubChem CID 129279605) has the molecular formula C18H29N3O2S and a molecular weight of 351.52 g/mol. Its IUPAC name is N-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propyl]methanesulfonamide
PubChem CID129279605
Molecular FormulaC18H29N3O2S
Molecular Weight351.52 g/mol
Exact Mass351.20
IUPAC NameN-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propyl]methanesulfonamide
SMILESCC(CNS(C)(=O)=O)N1CCC(N[C@@H]2C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C18H29N3O2S/c1-14(13-19-24(2,22)23)21-10-8-16(9-11-21)20-18-12-17(18)15-6-4-3-5-7-15/h3-7,14,16-20H,8-13H2,1-2H3/t14?,17-,18+/m0/s1
InChIKeyVHLYSAMXJQKDAV-CXRLMVSZSA-N
XLogP1.53
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.52
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propyl]methanesulfonamide?
The IUPAC name of N-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propyl]methanesulfonamide (CID 129279605) is N-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propyl]methanesulfonamide.
What is the SMILES notation for N-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propyl]methanesulfonamide?
The canonical SMILES for N-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propyl]methanesulfonamide is CC(CNS(C)(=O)=O)N1CCC(N[C@@H]2C[C@H]2c2ccccc2)CC1.
What is the InChIKey of N-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propyl]methanesulfonamide?
The InChIKey is VHLYSAMXJQKDAV-CXRLMVSZSA-N. The full InChI is InChI=1S/C18H29N3O2S/c1-14(13-19-24(2,22)23)21-10-8-16(9-11-21)20-18-12-17(18)15-6-4-3-5-7-15/h3-7,14,16-20H,8-13H2,1-2H3/t14?,17-,18+/m0/s1.
What are the key properties of N-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propyl]methanesulfonamide?
N-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propyl]methanesulfonamide has a molecular weight of 351.52 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propyl]methanesulfonamide is sourced from PubChem (CID 129279605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).