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

C14H25N5OS — CID 3062250

IUPACN-cyclohexyl-N-ethyl-4-(1-methyltetrazol-5-yl)sulfanylbutanamide
SMILESCCN(C(=O)CCCSc1nnnn1C)C1CCCCC1
InChIInChI=1S/C14H25N5OS/c1-3-19(12-8-5-4-6-9-12)13(20)10-7-11-21-14-15-16-17-18(14)2/h12H,3-11H2,1-2H3
InChIKeyRWGGSNKUNTZVTC-UHFFFAOYSA-N
MW311.46 g/mol
LogP2.26
Rot. Bonds7

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

N-cyclohexyl-N-ethyl-4-(1-methyltetrazol-5-yl)sulfanylbutanamide (PubChem CID 3062250) has the molecular formula C14H25N5OS and a molecular weight of 311.46 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-4-(1-methyltetrazol-5-yl)sulfanylbutanamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-4-(1-methyltetrazol-5-yl)sulfanylbutanamide
PubChem CID3062250
Molecular FormulaC14H25N5OS
Molecular Weight311.46 g/mol
Exact Mass311.18
IUPAC NameN-cyclohexyl-N-ethyl-4-(1-methyltetrazol-5-yl)sulfanylbutanamide
SMILESCCN(C(=O)CCCSc1nnnn1C)C1CCCCC1
InChIInChI=1S/C14H25N5OS/c1-3-19(12-8-5-4-6-9-12)13(20)10-7-11-21-14-15-16-17-18(14)2/h12H,3-11H2,1-2H3
InChIKeyRWGGSNKUNTZVTC-UHFFFAOYSA-N
XLogP2.26
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.46
LogP ≤ 52.26
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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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-4-(1-methyltetrazol-5-yl)sulfanylbutanamide?
The IUPAC name of N-cyclohexyl-N-ethyl-4-(1-methyltetrazol-5-yl)sulfanylbutanamide (CID 3062250) is N-cyclohexyl-N-ethyl-4-(1-methyltetrazol-5-yl)sulfanylbutanamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-4-(1-methyltetrazol-5-yl)sulfanylbutanamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-4-(1-methyltetrazol-5-yl)sulfanylbutanamide is CCN(C(=O)CCCSc1nnnn1C)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-4-(1-methyltetrazol-5-yl)sulfanylbutanamide?
The InChIKey is RWGGSNKUNTZVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5OS/c1-3-19(12-8-5-4-6-9-12)13(20)10-7-11-21-14-15-16-17-18(14)2/h12H,3-11H2,1-2H3.
What are the key properties of N-cyclohexyl-N-ethyl-4-(1-methyltetrazol-5-yl)sulfanylbutanamide?
N-cyclohexyl-N-ethyl-4-(1-methyltetrazol-5-yl)sulfanylbutanamide has a molecular weight of 311.46 g/mol, XLogP of 2.26, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-4-(1-methyltetrazol-5-yl)sulfanylbutanamide is sourced from PubChem (CID 3062250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).