(2S)-N-carbamoyl-2-(1-ethyltetrazol-5-yl)sulfanylpropanamide

C7H12N6O2S — CID 41236820

IUPAC(2S)-N-carbamoyl-2-(1-ethyltetrazol-5-yl)sulfanylpropanamide
SMILESCCn1nnnc1S[C@@H](C)C(=O)NC(N)=O
InChIInChI=1S/C7H12N6O2S/c1-3-13-7(10-11-12-13)16-4(2)5(14)9-6(8)15/h4H,3H2,1-2H3,(H3,8,9,14,15)/t4-/m0/s1
InChIKeyIHKLUWXXWRQEPQ-BYPYZUCNSA-N
MW244.28 g/mol
LogP-0.63
Rot. Bonds4

About (2S)-N-carbamoyl-2-(1-ethyltetrazol-5-yl)sulfanylpropanamide

(2S)-N-carbamoyl-2-(1-ethyltetrazol-5-yl)sulfanylpropanamide (PubChem CID 41236820) has the molecular formula C7H12N6O2S and a molecular weight of 244.28 g/mol. Its IUPAC name is (2S)-N-carbamoyl-2-(1-ethyltetrazol-5-yl)sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-carbamoyl-2-(1-ethyltetrazol-5-yl)sulfanylpropanamide
PubChem CID41236820
Molecular FormulaC7H12N6O2S
Molecular Weight244.28 g/mol
Exact Mass244.07
IUPAC Name(2S)-N-carbamoyl-2-(1-ethyltetrazol-5-yl)sulfanylpropanamide
SMILESCCn1nnnc1S[C@@H](C)C(=O)NC(N)=O
InChIInChI=1S/C7H12N6O2S/c1-3-13-7(10-11-12-13)16-4(2)5(14)9-6(8)15/h4H,3H2,1-2H3,(H3,8,9,14,15)/t4-/m0/s1
InChIKeyIHKLUWXXWRQEPQ-BYPYZUCNSA-N
XLogP-0.63
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-N-cyclohexyl-2-(1-ethyltetrazol-5-yl)sulfanylpropanamide
CID 41273589
2-(1-ethyltetrazol-5-yl)sulfanyl-N-(2-phenylpropyl)propanamide
CID 46641076
N-(ethylcarbamoyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylpropanamide
CID 42923555
(2R)-2-(1-ethyltetrazol-5-yl)sulfanyl-N-(3-methylphenyl)propanamide
CID 41260469
(2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(1-ethyltetrazol-5-yl)sulfanylpropanamide
CID 27025307
N-carbamoyl-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 4579692
(2R)-1-(1-adamantyl)-2-(1-ethyltetrazol-5-yl)sulfanylpropan-1-one
CID 40938645
(2R)-N-(3-chloro-4-cyanophenyl)-2-(1-ethyltetrazol-5-yl)sulfanylpropanamide
CID 27144173
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(1-ethyltetrazol-5-yl)sulfanylpropanamide
CID 24520409
(2S)-2-(1-ethyltetrazol-5-yl)sulfanyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 27143712
propyl (2S)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylpropanoate
CID 95636269
2-[[4-(2-aminoethyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-carbamoylpropanamide
CID 65294502

Frequently Asked Questions

What is the IUPAC name of (2S)-N-carbamoyl-2-(1-ethyltetrazol-5-yl)sulfanylpropanamide?
The IUPAC name of (2S)-N-carbamoyl-2-(1-ethyltetrazol-5-yl)sulfanylpropanamide (CID 41236820) is (2S)-N-carbamoyl-2-(1-ethyltetrazol-5-yl)sulfanylpropanamide.
What is the SMILES notation for (2S)-N-carbamoyl-2-(1-ethyltetrazol-5-yl)sulfanylpropanamide?
The canonical SMILES for (2S)-N-carbamoyl-2-(1-ethyltetrazol-5-yl)sulfanylpropanamide is CCn1nnnc1S[C@@H](C)C(=O)NC(N)=O.
What is the InChIKey of (2S)-N-carbamoyl-2-(1-ethyltetrazol-5-yl)sulfanylpropanamide?
The InChIKey is IHKLUWXXWRQEPQ-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H12N6O2S/c1-3-13-7(10-11-12-13)16-4(2)5(14)9-6(8)15/h4H,3H2,1-2H3,(H3,8,9,14,15)/t4-/m0/s1.
What are the key properties of (2S)-N-carbamoyl-2-(1-ethyltetrazol-5-yl)sulfanylpropanamide?
(2S)-N-carbamoyl-2-(1-ethyltetrazol-5-yl)sulfanylpropanamide has a molecular weight of 244.28 g/mol, XLogP of -0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-carbamoyl-2-(1-ethyltetrazol-5-yl)sulfanylpropanamide is sourced from PubChem (CID 41236820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).