4-(1-methyltetrazol-5-yl)sulfanyl-N,N-dipropylbutanamide

C12H23N5OS — CID 12818575

IUPAC4-(1-methyltetrazol-5-yl)sulfanyl-N,N-dipropylbutanamide
SMILESCCCN(CCC)C(=O)CCCSc1nnnn1C
InChIInChI=1S/C12H23N5OS/c1-4-8-17(9-5-2)11(18)7-6-10-19-12-13-14-15-16(12)3/h4-10H2,1-3H3
InChIKeyLZBFUZJAJBZZLR-UHFFFAOYSA-N
MW285.42 g/mol
LogP1.73
Rot. Bonds9

About 4-(1-methyltetrazol-5-yl)sulfanyl-N,N-dipropylbutanamide

4-(1-methyltetrazol-5-yl)sulfanyl-N,N-dipropylbutanamide (PubChem CID 12818575) has the molecular formula C12H23N5OS and a molecular weight of 285.42 g/mol. Its IUPAC name is 4-(1-methyltetrazol-5-yl)sulfanyl-N,N-dipropylbutanamide.

Molecular Properties

Compound Name4-(1-methyltetrazol-5-yl)sulfanyl-N,N-dipropylbutanamide
PubChem CID12818575
Molecular FormulaC12H23N5OS
Molecular Weight285.42 g/mol
Exact Mass285.16
IUPAC Name4-(1-methyltetrazol-5-yl)sulfanyl-N,N-dipropylbutanamide
SMILESCCCN(CCC)C(=O)CCCSc1nnnn1C
InChIInChI=1S/C12H23N5OS/c1-4-8-17(9-5-2)11(18)7-6-10-19-12-13-14-15-16(12)3/h4-10H2,1-3H3
InChIKeyLZBFUZJAJBZZLR-UHFFFAOYSA-N
XLogP1.73
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1-Methyltetrazol-5-yl)sulfanyl-1-piperidin-1-ylethanone
CID 864616
N-cyclohexyl-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2338857
2-(1-Butyl-1H-tetrazol-5-ylsulfanyl)-1-pyrrolidin-1-yl-ethanone
CID 3212940
1-Piperidin-1-yl-2-(1-propyl-1H-tetrazol-5-ylsulfanyl)-ethanone
CID 1452245
Butanamide, N-cyclohexyl-N-ethyl-4-((1-methyl-1H-tetrazol-5-yl)thio)-
CID 3062250
Pentanamide, N-cyclohexyl-N-ethyl-5-((1-methyl-1H-tetrazol-5-yl)thio)-
CID 3062258
Propanamide, N,N-diethyl-3-(((1-methyl-1H-tetrazol-5-yl)methyl)thio)-
CID 3062261
2-(1-Ethyl-1H-tetrazol-5-ylsulfanyl)-1-piperidin-1-yl-ethanone
CID 1452225
N,N-di(propan-2-yl)-2-[(1-propyl-5-tetrazolyl)thio]acetamide
CID 652193
2-(1-Propyl-1H-tetrazol-5-ylsulfanyl)-1-pyrrolidin-1-yl-ethanone
CID 1452244
2-(1-Butyl-1H-tetrazol-5-ylsulfanyl)-N,N-diethyl-acetamide
CID 3212938
N-cyclohexyl-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2364972

Frequently Asked Questions

What is the IUPAC name of 4-(1-methyltetrazol-5-yl)sulfanyl-N,N-dipropylbutanamide?
The IUPAC name of 4-(1-methyltetrazol-5-yl)sulfanyl-N,N-dipropylbutanamide (CID 12818575) is 4-(1-methyltetrazol-5-yl)sulfanyl-N,N-dipropylbutanamide.
What is the SMILES notation for 4-(1-methyltetrazol-5-yl)sulfanyl-N,N-dipropylbutanamide?
The canonical SMILES for 4-(1-methyltetrazol-5-yl)sulfanyl-N,N-dipropylbutanamide is CCCN(CCC)C(=O)CCCSc1nnnn1C.
What is the InChIKey of 4-(1-methyltetrazol-5-yl)sulfanyl-N,N-dipropylbutanamide?
The InChIKey is LZBFUZJAJBZZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5OS/c1-4-8-17(9-5-2)11(18)7-6-10-19-12-13-14-15-16(12)3/h4-10H2,1-3H3.
What are the key properties of 4-(1-methyltetrazol-5-yl)sulfanyl-N,N-dipropylbutanamide?
4-(1-methyltetrazol-5-yl)sulfanyl-N,N-dipropylbutanamide has a molecular weight of 285.42 g/mol, XLogP of 1.73, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyltetrazol-5-yl)sulfanyl-N,N-dipropylbutanamide is sourced from PubChem (CID 12818575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).