(2R)-2-amino-4-methylsulfanyl-N-(2H-tetrazol-5-ylmethyl)butanamide

C7H14N6OS — CID 104908299

IUPAC(2R)-2-amino-4-methylsulfanyl-N-(2H-tetrazol-5-ylmethyl)butanamide
SMILESCSCC[C@@H](N)C(=O)NCc1nn[nH]n1
InChIInChI=1S/C7H14N6OS/c1-15-3-2-5(8)7(14)9-4-6-10-12-13-11-6/h5H,2-4,8H2,1H3,(H,9,14)(H,10,11,12,13)/t5-/m1/s1
InChIKeyJCCISCQCTWESQV-RXMQYKEDSA-N
MW230.30 g/mol
LogP-1.10
Rot. Bonds6

About (2R)-2-amino-4-methylsulfanyl-N-(2H-tetrazol-5-ylmethyl)butanamide

(2R)-2-amino-4-methylsulfanyl-N-(2H-tetrazol-5-ylmethyl)butanamide (PubChem CID 104908299) has the molecular formula C7H14N6OS and a molecular weight of 230.30 g/mol. Its IUPAC name is (2R)-2-amino-4-methylsulfanyl-N-(2H-tetrazol-5-ylmethyl)butanamide.

Molecular Properties

Compound Name(2R)-2-amino-4-methylsulfanyl-N-(2H-tetrazol-5-ylmethyl)butanamide
PubChem CID104908299
Molecular FormulaC7H14N6OS
Molecular Weight230.30 g/mol
Exact Mass230.09
IUPAC Name(2R)-2-amino-4-methylsulfanyl-N-(2H-tetrazol-5-ylmethyl)butanamide
SMILESCSCC[C@@H](N)C(=O)NCc1nn[nH]n1
InChIInChI=1S/C7H14N6OS/c1-15-3-2-5(8)7(14)9-4-6-10-12-13-11-6/h5H,2-4,8H2,1H3,(H,9,14)(H,10,11,12,13)/t5-/m1/s1
InChIKeyJCCISCQCTWESQV-RXMQYKEDSA-N
XLogP-1.10
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 5-1.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-sulfanyl-1-(2H-tetrazol-5-yl)ethyl]acetamide
CID 22466966
N-[(1R)-2-sulfanyl-1-(1H-1,2,3,4-tetrazol-5-yl)ethyl]acetamide
CID 44545697
N-cyclohexyl-3-(2H-tetrazol-5-ylmethylsulfanyl)pentanamide
CID 56998156
2-amino-3-methyl-N-(2H-tetrazol-5-ylmethyl)butanamide
CID 61855046
N-[(1R)-2-methylsulfanyl-1-(2H-tetrazol-5-yl)ethyl]acetamide
CID 90195659
2-sulfanyl-N-(2H-tetrazol-5-ylmethyl)propanamide
CID 130311248
2-(disulfanyl)-N-(2H-tetrazol-5-ylmethyl)propanamide
CID 137551441
N-[(1S)-2-sulfanyl-1-(2H-tetrazol-5-yl)ethyl]acetamide
CID 141007038
3-methyl-3-sulfanyl-N-[3-(2H-tetrazol-5-ylmethylsulfanyl)cyclobutyl]butanamide
CID 148429839
3-(2-amino-2-oxoethyl)sulfanyl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide
CID 60928948
N-[1-(2H-tetrazol-5-yl)ethyl]butanamide
CID 60930172
2-(carbamoylamino)-4-methylsulfanyl-N-[1-(2H-tetrazol-5-yl)ethyl]butanamide
CID 61851324

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-methylsulfanyl-N-(2H-tetrazol-5-ylmethyl)butanamide?
The IUPAC name of (2R)-2-amino-4-methylsulfanyl-N-(2H-tetrazol-5-ylmethyl)butanamide (CID 104908299) is (2R)-2-amino-4-methylsulfanyl-N-(2H-tetrazol-5-ylmethyl)butanamide.
What is the SMILES notation for (2R)-2-amino-4-methylsulfanyl-N-(2H-tetrazol-5-ylmethyl)butanamide?
The canonical SMILES for (2R)-2-amino-4-methylsulfanyl-N-(2H-tetrazol-5-ylmethyl)butanamide is CSCC[C@@H](N)C(=O)NCc1nn[nH]n1.
What is the InChIKey of (2R)-2-amino-4-methylsulfanyl-N-(2H-tetrazol-5-ylmethyl)butanamide?
The InChIKey is JCCISCQCTWESQV-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H14N6OS/c1-15-3-2-5(8)7(14)9-4-6-10-12-13-11-6/h5H,2-4,8H2,1H3,(H,9,14)(H,10,11,12,13)/t5-/m1/s1.
What are the key properties of (2R)-2-amino-4-methylsulfanyl-N-(2H-tetrazol-5-ylmethyl)butanamide?
(2R)-2-amino-4-methylsulfanyl-N-(2H-tetrazol-5-ylmethyl)butanamide has a molecular weight of 230.30 g/mol, XLogP of -1.10, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-methylsulfanyl-N-(2H-tetrazol-5-ylmethyl)butanamide is sourced from PubChem (CID 104908299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).