(2R)-N-cyclohexyl-2-(1-ethyltetrazol-5-yl)sulfanylpropanamide

C12H21N5OS — CID 41273589

IUPAC(2R)-N-cyclohexyl-2-(1-ethyltetrazol-5-yl)sulfanylpropanamide
SMILESCCn1nnnc1S[C@H](C)C(=O)NC1CCCCC1
InChIInChI=1S/C12H21N5OS/c1-3-17-12(14-15-16-17)19-9(2)11(18)13-10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3,(H,13,18)/t9-/m1/s1
InChIKeyGBUYFNXOIHGZAB-SECBINFHSA-N
MW283.40 g/mol
LogP1.62
Rot. Bonds5

About (2R)-N-cyclohexyl-2-(1-ethyltetrazol-5-yl)sulfanylpropanamide

(2R)-N-cyclohexyl-2-(1-ethyltetrazol-5-yl)sulfanylpropanamide (PubChem CID 41273589) has the molecular formula C12H21N5OS and a molecular weight of 283.40 g/mol. Its IUPAC name is (2R)-N-cyclohexyl-2-(1-ethyltetrazol-5-yl)sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-cyclohexyl-2-(1-ethyltetrazol-5-yl)sulfanylpropanamide
PubChem CID41273589
Molecular FormulaC12H21N5OS
Molecular Weight283.40 g/mol
Exact Mass283.15
IUPAC Name(2R)-N-cyclohexyl-2-(1-ethyltetrazol-5-yl)sulfanylpropanamide
SMILESCCn1nnnc1S[C@H](C)C(=O)NC1CCCCC1
InChIInChI=1S/C12H21N5OS/c1-3-17-12(14-15-16-17)19-9(2)11(18)13-10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3,(H,13,18)/t9-/m1/s1
InChIKeyGBUYFNXOIHGZAB-SECBINFHSA-N
XLogP1.62
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(1-ethyltetrazol-5-yl)sulfanylpropanamide
CID 27025307
N-cyclohexyl-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylpropanamide
CID 46640192
N-cyclopentyl-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
CID 1452223
(2S)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-cyclopropylpropanamide
CID 26012514
(2S)-N-carbamoyl-2-(1-ethyltetrazol-5-yl)sulfanylpropanamide
CID 41236820
(2R)-N-cyclopropyl-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylpropanamide
CID 9388416
(2S)-2-(1-ethyltetrazol-5-yl)sulfanyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 27143712
2-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentylpropanamide
CID 63313317
(2S)-N-cyclopentyl-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7713686
(2R)-2-[[5-(3-amino-3-oxopropyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptylpropanamide
CID 9383750
N-cyclopentyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 16650668
(2S)-N-cyclohexyl-2-[[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 97063662

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclohexyl-2-(1-ethyltetrazol-5-yl)sulfanylpropanamide?
The IUPAC name of (2R)-N-cyclohexyl-2-(1-ethyltetrazol-5-yl)sulfanylpropanamide (CID 41273589) is (2R)-N-cyclohexyl-2-(1-ethyltetrazol-5-yl)sulfanylpropanamide.
What is the SMILES notation for (2R)-N-cyclohexyl-2-(1-ethyltetrazol-5-yl)sulfanylpropanamide?
The canonical SMILES for (2R)-N-cyclohexyl-2-(1-ethyltetrazol-5-yl)sulfanylpropanamide is CCn1nnnc1S[C@H](C)C(=O)NC1CCCCC1.
What is the InChIKey of (2R)-N-cyclohexyl-2-(1-ethyltetrazol-5-yl)sulfanylpropanamide?
The InChIKey is GBUYFNXOIHGZAB-SECBINFHSA-N. The full InChI is InChI=1S/C12H21N5OS/c1-3-17-12(14-15-16-17)19-9(2)11(18)13-10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3,(H,13,18)/t9-/m1/s1.
What are the key properties of (2R)-N-cyclohexyl-2-(1-ethyltetrazol-5-yl)sulfanylpropanamide?
(2R)-N-cyclohexyl-2-(1-ethyltetrazol-5-yl)sulfanylpropanamide has a molecular weight of 283.40 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclohexyl-2-(1-ethyltetrazol-5-yl)sulfanylpropanamide is sourced from PubChem (CID 41273589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).