N-[[(2S)-1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-2-yl]methyl]methanesulfonamide

C12H22N6O2S — CID 94032250

IUPACN-[[(2S)-1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@@H]1CCCCN1Cc1nnnn1C1CC1
InChIInChI=1S/C12H22N6O2S/c1-21(19,20)13-8-11-4-2-3-7-17(11)9-12-14-15-16-18(12)10-5-6-10/h10-11,13H,2-9H2,1H3/t11-/m0/s1
InChIKeyQMPXPNIWXBYCSX-NSHDSACASA-N
MW314.42 g/mol
LogP-0.09
Rot. Bonds6

About N-[[(2S)-1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-2-yl]methyl]methanesulfonamide

N-[[(2S)-1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-2-yl]methyl]methanesulfonamide (PubChem CID 94032250) has the molecular formula C12H22N6O2S and a molecular weight of 314.42 g/mol. Its IUPAC name is N-[[(2S)-1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(2S)-1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-2-yl]methyl]methanesulfonamide
PubChem CID94032250
Molecular FormulaC12H22N6O2S
Molecular Weight314.42 g/mol
Exact Mass314.15
IUPAC NameN-[[(2S)-1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@@H]1CCCCN1Cc1nnnn1C1CC1
InChIInChI=1S/C12H22N6O2S/c1-21(19,20)13-8-11-4-2-3-7-17(11)9-12-14-15-16-18(12)10-5-6-10/h10-11,13H,2-9H2,1H3/t11-/m0/s1
InChIKeyQMPXPNIWXBYCSX-NSHDSACASA-N
XLogP-0.09
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.42
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(2S)-1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-2-yl]methyl]methanesulfonamide (CID 94032250) is N-[[(2S)-1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(2S)-1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(2S)-1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-2-yl]methyl]methanesulfonamide is CS(=O)(=O)NC[C@@H]1CCCCN1Cc1nnnn1C1CC1.
What is the InChIKey of N-[[(2S)-1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-2-yl]methyl]methanesulfonamide?
The InChIKey is QMPXPNIWXBYCSX-NSHDSACASA-N. The full InChI is InChI=1S/C12H22N6O2S/c1-21(19,20)13-8-11-4-2-3-7-17(11)9-12-14-15-16-18(12)10-5-6-10/h10-11,13H,2-9H2,1H3/t11-/m0/s1.
What are the key properties of N-[[(2S)-1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-2-yl]methyl]methanesulfonamide?
N-[[(2S)-1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-2-yl]methyl]methanesulfonamide has a molecular weight of 314.42 g/mol, XLogP of -0.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 94032250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).