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

C19H29N3O2S — CID 129279770

IUPACN-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCCN1CCC(N[C@@H]2C[C@H]2c2ccccc2)CC1)C1CC1
InChIInChI=1S/C19H29N3O2S/c23-25(24,17-6-7-17)20-10-13-22-11-8-16(9-12-22)21-19-14-18(19)15-4-2-1-3-5-15/h1-5,16-21H,6-14H2/t18-,19+/m0/s1
InChIKeyBEJXYCDQSZFBRW-RBUKOAKNSA-N
MW363.53 g/mol
LogP1.68
Rot. Bonds8

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

N-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]cyclopropanesulfonamide (PubChem CID 129279770) has the molecular formula C19H29N3O2S and a molecular weight of 363.53 g/mol. Its IUPAC name is N-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]cyclopropanesulfonamide
PubChem CID129279770
Molecular FormulaC19H29N3O2S
Molecular Weight363.53 g/mol
Exact Mass363.20
IUPAC NameN-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCCN1CCC(N[C@@H]2C[C@H]2c2ccccc2)CC1)C1CC1
InChIInChI=1S/C19H29N3O2S/c23-25(24,17-6-7-17)20-10-13-22-11-8-16(9-12-22)21-19-14-18(19)15-4-2-1-3-5-15/h1-5,16-21H,6-14H2/t18-,19+/m0/s1
InChIKeyBEJXYCDQSZFBRW-RBUKOAKNSA-N
XLogP1.68
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.53
LogP ≤ 51.68
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]ethyl]cyclopropanesulfonamide?
The IUPAC name of N-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]cyclopropanesulfonamide (CID 129279770) is N-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]cyclopropanesulfonamide?
The canonical SMILES for N-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]cyclopropanesulfonamide is O=S(=O)(NCCN1CCC(N[C@@H]2C[C@H]2c2ccccc2)CC1)C1CC1.
What is the InChIKey of N-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]cyclopropanesulfonamide?
The InChIKey is BEJXYCDQSZFBRW-RBUKOAKNSA-N. The full InChI is InChI=1S/C19H29N3O2S/c23-25(24,17-6-7-17)20-10-13-22-11-8-16(9-12-22)21-19-14-18(19)15-4-2-1-3-5-15/h1-5,16-21H,6-14H2/t18-,19+/m0/s1.
What are the key properties of N-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]cyclopropanesulfonamide?
N-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]cyclopropanesulfonamide has a molecular weight of 363.53 g/mol, XLogP of 1.68, 8 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]ethyl]cyclopropanesulfonamide is sourced from PubChem (CID 129279770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).