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

C18H29N3O2S — CID 129279635

IUPACN-methyl-N-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]methanesulfonamide
SMILESCN(CCN1CCC(N[C@@H]2C[C@H]2c2ccccc2)CC1)S(C)(=O)=O
InChIInChI=1S/C18H29N3O2S/c1-20(24(2,22)23)12-13-21-10-8-16(9-11-21)19-18-14-17(18)15-6-4-3-5-7-15/h3-7,16-19H,8-14H2,1-2H3/t17-,18+/m0/s1
InChIKeyDNLPPSCNPNUQAL-ZWKOTPCHSA-N
MW351.52 g/mol
LogP1.49
Rot. Bonds7

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

N-methyl-N-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]methanesulfonamide (PubChem CID 129279635) has the molecular formula C18H29N3O2S and a molecular weight of 351.52 g/mol. Its IUPAC name is N-methyl-N-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]methanesulfonamide
PubChem CID129279635
Molecular FormulaC18H29N3O2S
Molecular Weight351.52 g/mol
Exact Mass351.20
IUPAC NameN-methyl-N-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]methanesulfonamide
SMILESCN(CCN1CCC(N[C@@H]2C[C@H]2c2ccccc2)CC1)S(C)(=O)=O
InChIInChI=1S/C18H29N3O2S/c1-20(24(2,22)23)12-13-21-10-8-16(9-11-21)19-18-14-17(18)15-6-4-3-5-7-15/h3-7,16-19H,8-14H2,1-2H3/t17-,18+/m0/s1
InChIKeyDNLPPSCNPNUQAL-ZWKOTPCHSA-N
XLogP1.49
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.52
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]methanesulfonamide (CID 129279635) is N-methyl-N-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]methanesulfonamide is CN(CCN1CCC(N[C@@H]2C[C@H]2c2ccccc2)CC1)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]methanesulfonamide?
The InChIKey is DNLPPSCNPNUQAL-ZWKOTPCHSA-N. The full InChI is InChI=1S/C18H29N3O2S/c1-20(24(2,22)23)12-13-21-10-8-16(9-11-21)19-18-14-17(18)15-6-4-3-5-7-15/h3-7,16-19H,8-14H2,1-2H3/t17-,18+/m0/s1.
What are the key properties of N-methyl-N-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]methanesulfonamide?
N-methyl-N-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]methanesulfonamide has a molecular weight of 351.52 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 129279635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).