N-ethyl-N-methyl-4-(1-methyltetrazol-5-yl)sulfanylbutanamide

C9H17N5OS — CID 21295358

IUPACN-ethyl-N-methyl-4-(1-methyltetrazol-5-yl)sulfanylbutanamide
SMILESCCN(C)C(=O)CCCSc1nnnn1C
InChIInChI=1S/C9H17N5OS/c1-4-13(2)8(15)6-5-7-16-9-10-11-12-14(9)3/h4-7H2,1-3H3
InChIKeyIDMXHRJCGOUWDS-UHFFFAOYSA-N
MW243.34 g/mol
LogP0.56
Rot. Bonds6

About N-ethyl-N-methyl-4-(1-methyltetrazol-5-yl)sulfanylbutanamide

N-ethyl-N-methyl-4-(1-methyltetrazol-5-yl)sulfanylbutanamide (PubChem CID 21295358) has the molecular formula C9H17N5OS and a molecular weight of 243.34 g/mol. Its IUPAC name is N-ethyl-N-methyl-4-(1-methyltetrazol-5-yl)sulfanylbutanamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-4-(1-methyltetrazol-5-yl)sulfanylbutanamide
PubChem CID21295358
Molecular FormulaC9H17N5OS
Molecular Weight243.34 g/mol
Exact Mass243.12
IUPAC NameN-ethyl-N-methyl-4-(1-methyltetrazol-5-yl)sulfanylbutanamide
SMILESCCN(C)C(=O)CCCSc1nnnn1C
InChIInChI=1S/C9H17N5OS/c1-4-13(2)8(15)6-5-7-16-9-10-11-12-14(9)3/h4-7H2,1-3H3
InChIKeyIDMXHRJCGOUWDS-UHFFFAOYSA-N
XLogP0.56
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 50.56
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-ethyl-N-methyl-4-(1-methyltetrazol-5-yl)sulfanylbutanamide?
The IUPAC name of N-ethyl-N-methyl-4-(1-methyltetrazol-5-yl)sulfanylbutanamide (CID 21295358) is N-ethyl-N-methyl-4-(1-methyltetrazol-5-yl)sulfanylbutanamide.
What is the SMILES notation for N-ethyl-N-methyl-4-(1-methyltetrazol-5-yl)sulfanylbutanamide?
The canonical SMILES for N-ethyl-N-methyl-4-(1-methyltetrazol-5-yl)sulfanylbutanamide is CCN(C)C(=O)CCCSc1nnnn1C.
What is the InChIKey of N-ethyl-N-methyl-4-(1-methyltetrazol-5-yl)sulfanylbutanamide?
The InChIKey is IDMXHRJCGOUWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5OS/c1-4-13(2)8(15)6-5-7-16-9-10-11-12-14(9)3/h4-7H2,1-3H3.
What are the key properties of N-ethyl-N-methyl-4-(1-methyltetrazol-5-yl)sulfanylbutanamide?
N-ethyl-N-methyl-4-(1-methyltetrazol-5-yl)sulfanylbutanamide has a molecular weight of 243.34 g/mol, XLogP of 0.56, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-4-(1-methyltetrazol-5-yl)sulfanylbutanamide is sourced from PubChem (CID 21295358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).