N-cyclohexyl-4-(1-methyltetrazol-5-yl)sulfanylbutanamide

C12H21N5OS — CID 3062252

IUPACN-cyclohexyl-4-(1-methyltetrazol-5-yl)sulfanylbutanamide
SMILESCn1nnnc1SCCCC(=O)NC1CCCCC1
InChIInChI=1S/C12H21N5OS/c1-17-12(14-15-16-17)19-9-5-8-11(18)13-10-6-3-2-4-7-10/h10H,2-9H2,1H3,(H,13,18)
InChIKeyBSQYHCRAVZTITA-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.53
Rot. Bonds6

About N-cyclohexyl-4-(1-methyltetrazol-5-yl)sulfanylbutanamide

N-cyclohexyl-4-(1-methyltetrazol-5-yl)sulfanylbutanamide (PubChem CID 3062252) has the molecular formula C12H21N5OS and a molecular weight of 283.40 g/mol. Its IUPAC name is N-cyclohexyl-4-(1-methyltetrazol-5-yl)sulfanylbutanamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(1-methyltetrazol-5-yl)sulfanylbutanamide
PubChem CID3062252
Molecular FormulaC12H21N5OS
Molecular Weight283.40 g/mol
Exact Mass283.15
IUPAC NameN-cyclohexyl-4-(1-methyltetrazol-5-yl)sulfanylbutanamide
SMILESCn1nnnc1SCCCC(=O)NC1CCCCC1
InChIInChI=1S/C12H21N5OS/c1-17-12(14-15-16-17)19-9-5-8-11(18)13-10-6-3-2-4-7-10/h10H,2-9H2,1H3,(H,13,18)
InChIKeyBSQYHCRAVZTITA-UHFFFAOYSA-N
XLogP1.53
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(1-methyltetrazol-5-yl)sulfanylbutanamide?
The IUPAC name of N-cyclohexyl-4-(1-methyltetrazol-5-yl)sulfanylbutanamide (CID 3062252) is N-cyclohexyl-4-(1-methyltetrazol-5-yl)sulfanylbutanamide.
What is the SMILES notation for N-cyclohexyl-4-(1-methyltetrazol-5-yl)sulfanylbutanamide?
The canonical SMILES for N-cyclohexyl-4-(1-methyltetrazol-5-yl)sulfanylbutanamide is Cn1nnnc1SCCCC(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-4-(1-methyltetrazol-5-yl)sulfanylbutanamide?
The InChIKey is BSQYHCRAVZTITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5OS/c1-17-12(14-15-16-17)19-9-5-8-11(18)13-10-6-3-2-4-7-10/h10H,2-9H2,1H3,(H,13,18).
What are the key properties of N-cyclohexyl-4-(1-methyltetrazol-5-yl)sulfanylbutanamide?
N-cyclohexyl-4-(1-methyltetrazol-5-yl)sulfanylbutanamide has a molecular weight of 283.40 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(1-methyltetrazol-5-yl)sulfanylbutanamide is sourced from PubChem (CID 3062252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).