(2S)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-cyclopropylpropanamide

C12H19N5OS — CID 26012514

IUPAC(2S)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-cyclopropylpropanamide
SMILESC[C@H](Sc1nnnn1C1CCCC1)C(=O)NC1CC1
InChIInChI=1S/C12H19N5OS/c1-8(11(18)13-9-6-7-9)19-12-14-15-16-17(12)10-4-2-3-5-10/h8-10H,2-7H2,1H3,(H,13,18)/t8-/m0/s1
InChIKeyQBFRCPCSUZKLHH-QMMMGPOBSA-N
MW281.38 g/mol
LogP1.55
Rot. Bonds5

About (2S)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-cyclopropylpropanamide

(2S)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-cyclopropylpropanamide (PubChem CID 26012514) has the molecular formula C12H19N5OS and a molecular weight of 281.38 g/mol. Its IUPAC name is (2S)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-cyclopropylpropanamide.

Molecular Properties

Compound Name(2S)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-cyclopropylpropanamide
PubChem CID26012514
Molecular FormulaC12H19N5OS
Molecular Weight281.38 g/mol
Exact Mass281.13
IUPAC Name(2S)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-cyclopropylpropanamide
SMILESC[C@H](Sc1nnnn1C1CCCC1)C(=O)NC1CC1
InChIInChI=1S/C12H19N5OS/c1-8(11(18)13-9-6-7-9)19-12-14-15-16-17(12)10-4-2-3-5-10/h8-10H,2-7H2,1H3,(H,13,18)/t8-/m0/s1
InChIKeyQBFRCPCSUZKLHH-QMMMGPOBSA-N
XLogP1.55
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2,3-dimethylcyclohexyl)propanamide
CID 46685656
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 42887067
(2R)-N-cyclohexyl-2-(1-ethyltetrazol-5-yl)sulfanylpropanamide
CID 41273589
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-prop-2-ynylpropanamide
CID 47145690
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N'-hydroxypropanimidamide
CID 76915210
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2,4-difluorophenyl)propanamide
CID 51244912
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-phenylpropan-1-one
CID 55441518
(2S)-N-(4-acetamidophenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide
CID 27096067
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 51244869
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2,5-dichlorophenyl)propanamide
CID 46639260
1-(1-adamantyl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylpropan-1-one
CID 46639374
(2R)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 25437973

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-cyclopropylpropanamide?
The IUPAC name of (2S)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-cyclopropylpropanamide (CID 26012514) is (2S)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-cyclopropylpropanamide.
What is the SMILES notation for (2S)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-cyclopropylpropanamide?
The canonical SMILES for (2S)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-cyclopropylpropanamide is C[C@H](Sc1nnnn1C1CCCC1)C(=O)NC1CC1.
What is the InChIKey of (2S)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-cyclopropylpropanamide?
The InChIKey is QBFRCPCSUZKLHH-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H19N5OS/c1-8(11(18)13-9-6-7-9)19-12-14-15-16-17(12)10-4-2-3-5-10/h8-10H,2-7H2,1H3,(H,13,18)/t8-/m0/s1.
What are the key properties of (2S)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-cyclopropylpropanamide?
(2S)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-cyclopropylpropanamide has a molecular weight of 281.38 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-cyclopropylpropanamide is sourced from PubChem (CID 26012514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).