N,N-dibutyl-4-(1-methyltetrazol-5-yl)sulfanylbutanamide

C14H27N5OS — CID 12818558

IUPACN,N-dibutyl-4-(1-methyltetrazol-5-yl)sulfanylbutanamide
SMILESCCCCN(CCCC)C(=O)CCCSc1nnnn1C
InChIInChI=1S/C14H27N5OS/c1-4-6-10-19(11-7-5-2)13(20)9-8-12-21-14-15-16-17-18(14)3/h4-12H2,1-3H3
InChIKeyRAZPQTPJSZXNCZ-UHFFFAOYSA-N
MW313.47 g/mol
LogP2.51
Rot. Bonds11

About N,N-dibutyl-4-(1-methyltetrazol-5-yl)sulfanylbutanamide

N,N-dibutyl-4-(1-methyltetrazol-5-yl)sulfanylbutanamide (PubChem CID 12818558) has the molecular formula C14H27N5OS and a molecular weight of 313.47 g/mol. Its IUPAC name is N,N-dibutyl-4-(1-methyltetrazol-5-yl)sulfanylbutanamide.

Molecular Properties

Compound NameN,N-dibutyl-4-(1-methyltetrazol-5-yl)sulfanylbutanamide
PubChem CID12818558
Molecular FormulaC14H27N5OS
Molecular Weight313.47 g/mol
Exact Mass313.19
IUPAC NameN,N-dibutyl-4-(1-methyltetrazol-5-yl)sulfanylbutanamide
SMILESCCCCN(CCCC)C(=O)CCCSc1nnnn1C
InChIInChI=1S/C14H27N5OS/c1-4-6-10-19(11-7-5-2)13(20)9-8-12-21-14-15-16-17-18(14)3/h4-12H2,1-3H3
InChIKeyRAZPQTPJSZXNCZ-UHFFFAOYSA-N
XLogP2.51
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 52.51
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 N,N-dibutyl-4-(1-methyltetrazol-5-yl)sulfanylbutanamide?
The IUPAC name of N,N-dibutyl-4-(1-methyltetrazol-5-yl)sulfanylbutanamide (CID 12818558) is N,N-dibutyl-4-(1-methyltetrazol-5-yl)sulfanylbutanamide.
What is the SMILES notation for N,N-dibutyl-4-(1-methyltetrazol-5-yl)sulfanylbutanamide?
The canonical SMILES for N,N-dibutyl-4-(1-methyltetrazol-5-yl)sulfanylbutanamide is CCCCN(CCCC)C(=O)CCCSc1nnnn1C.
What is the InChIKey of N,N-dibutyl-4-(1-methyltetrazol-5-yl)sulfanylbutanamide?
The InChIKey is RAZPQTPJSZXNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5OS/c1-4-6-10-19(11-7-5-2)13(20)9-8-12-21-14-15-16-17-18(14)3/h4-12H2,1-3H3.
What are the key properties of N,N-dibutyl-4-(1-methyltetrazol-5-yl)sulfanylbutanamide?
N,N-dibutyl-4-(1-methyltetrazol-5-yl)sulfanylbutanamide has a molecular weight of 313.47 g/mol, XLogP of 2.51, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-4-(1-methyltetrazol-5-yl)sulfanylbutanamide is sourced from PubChem (CID 12818558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).