4-(1-methyltetrazol-5-yl)sulfanyl-N,N-di(propan-2-yl)butanamide

C12H23N5OS — CID 12818559

IUPAC4-(1-methyltetrazol-5-yl)sulfanyl-N,N-di(propan-2-yl)butanamide
SMILESCC(C)N(C(=O)CCCSc1nnnn1C)C(C)C
InChIInChI=1S/C12H23N5OS/c1-9(2)17(10(3)4)11(18)7-6-8-19-12-13-14-15-16(12)5/h9-10H,6-8H2,1-5H3
InChIKeyZPYZTOACEWQFNH-UHFFFAOYSA-N
MW285.42 g/mol
LogP1.73
Rot. Bonds7

About 4-(1-methyltetrazol-5-yl)sulfanyl-N,N-di(propan-2-yl)butanamide

4-(1-methyltetrazol-5-yl)sulfanyl-N,N-di(propan-2-yl)butanamide (PubChem CID 12818559) 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-di(propan-2-yl)butanamide.

Molecular Properties

Compound Name4-(1-methyltetrazol-5-yl)sulfanyl-N,N-di(propan-2-yl)butanamide
PubChem CID12818559
Molecular FormulaC12H23N5OS
Molecular Weight285.42 g/mol
Exact Mass285.16
IUPAC Name4-(1-methyltetrazol-5-yl)sulfanyl-N,N-di(propan-2-yl)butanamide
SMILESCC(C)N(C(=O)CCCSc1nnnn1C)C(C)C
InChIInChI=1S/C12H23N5OS/c1-9(2)17(10(3)4)11(18)7-6-8-19-12-13-14-15-16(12)5/h9-10H,6-8H2,1-5H3
InChIKeyZPYZTOACEWQFNH-UHFFFAOYSA-N
XLogP1.73
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
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-Cyclopentyl-1H-tetrazol-5-ylsulfanyl)-N,N-diisopropyl-acetamide
CID 653196
2-(1-Butyl-1H-tetrazol-5-ylsulfanyl)-1-pyrrolidin-1-yl-ethanone
CID 3212940
Butanamide, N-cyclohexyl-N-ethyl-4-((1-methyl-1H-tetrazol-5-yl)thio)-
CID 3062250
Butanamide, N-cyclohexyl-4-((1-methyl-1H-tetrazol-5-yl)thio)-
CID 3062252
Pentanamide, N-cyclohexyl-N-ethyl-5-((1-methyl-1H-tetrazol-5-yl)thio)-
CID 3062258
N,N-Dicyclohexyl-2-(1-methyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 650164
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-di(propan-2-yl)butanamide?
The IUPAC name of 4-(1-methyltetrazol-5-yl)sulfanyl-N,N-di(propan-2-yl)butanamide (CID 12818559) is 4-(1-methyltetrazol-5-yl)sulfanyl-N,N-di(propan-2-yl)butanamide.
What is the SMILES notation for 4-(1-methyltetrazol-5-yl)sulfanyl-N,N-di(propan-2-yl)butanamide?
The canonical SMILES for 4-(1-methyltetrazol-5-yl)sulfanyl-N,N-di(propan-2-yl)butanamide is CC(C)N(C(=O)CCCSc1nnnn1C)C(C)C.
What is the InChIKey of 4-(1-methyltetrazol-5-yl)sulfanyl-N,N-di(propan-2-yl)butanamide?
The InChIKey is ZPYZTOACEWQFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5OS/c1-9(2)17(10(3)4)11(18)7-6-8-19-12-13-14-15-16(12)5/h9-10H,6-8H2,1-5H3.
What are the key properties of 4-(1-methyltetrazol-5-yl)sulfanyl-N,N-di(propan-2-yl)butanamide?
4-(1-methyltetrazol-5-yl)sulfanyl-N,N-di(propan-2-yl)butanamide has a molecular weight of 285.42 g/mol, XLogP of 1.73, 7 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-di(propan-2-yl)butanamide is sourced from PubChem (CID 12818559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).