4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylbutan-2-amine

C12H23N5S — CID 64648734

IUPAC4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylbutan-2-amine
SMILESCCNC(C)CCSc1nnnn1C1CCCC1
InChIInChI=1S/C12H23N5S/c1-3-13-10(2)8-9-18-12-14-15-16-17(12)11-6-4-5-7-11/h10-11,13H,3-9H2,1-2H3
InChIKeyHRZPTVJKYSLDSV-UHFFFAOYSA-N
MW269.42 g/mol
LogP2.27
Rot. Bonds7

About 4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylbutan-2-amine

4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylbutan-2-amine (PubChem CID 64648734) has the molecular formula C12H23N5S and a molecular weight of 269.42 g/mol. Its IUPAC name is 4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylbutan-2-amine.

Molecular Properties

Compound Name4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylbutan-2-amine
PubChem CID64648734
Molecular FormulaC12H23N5S
Molecular Weight269.42 g/mol
Exact Mass269.17
IUPAC Name4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylbutan-2-amine
SMILESCCNC(C)CCSc1nnnn1C1CCCC1
InChIInChI=1S/C12H23N5S/c1-3-13-10(2)8-9-18-12-14-15-16-17(12)11-6-4-5-7-11/h10-11,13H,3-9H2,1-2H3
InChIKeyHRZPTVJKYSLDSV-UHFFFAOYSA-N
XLogP2.27
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylbutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-propylbutan-2-amine
CID 64648928
N-[2-(1-cyclopentyltetrazol-5-yl)sulfanylethyl]propan-2-amine
CID 61386323
methyl 4-(1-cyclopentyltetrazol-5-yl)sulfanyl-2-(ethylamino)butanoate
CID 63035729
5-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-propylpentan-2-amine
CID 64648944
N-[2-(1-cyclopropyltetrazol-5-yl)sulfanylethyl]propan-2-amine
CID 61386414
4-(1-cyclopentyltetrazol-5-yl)sulfanyl-2-(propan-2-ylamino)butanenitrile
CID 63053368
4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylbutan-1-amine
CID 62576620
1-(1-cyclopentyltetrazol-5-yl)sulfanylpropan-2-amine
CID 64649517
1-cyclohexyl-5-[3-(1-cyclohexyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole
CID 13061970
1-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethylbutan-2-amine
CID 64650320
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methylhexan-2-amine
CID 64649345
N-[2-(1-cyclopentyltetrazol-5-yl)sulfanylethyl]-2-methylpropan-2-amine
CID 55071080

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylbutan-2-amine?
The IUPAC name of 4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylbutan-2-amine (CID 64648734) is 4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylbutan-2-amine.
What is the SMILES notation for 4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylbutan-2-amine?
The canonical SMILES for 4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylbutan-2-amine is CCNC(C)CCSc1nnnn1C1CCCC1.
What is the InChIKey of 4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylbutan-2-amine?
The InChIKey is HRZPTVJKYSLDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5S/c1-3-13-10(2)8-9-18-12-14-15-16-17(12)11-6-4-5-7-11/h10-11,13H,3-9H2,1-2H3.
What are the key properties of 4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylbutan-2-amine?
4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylbutan-2-amine has a molecular weight of 269.42 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylbutan-2-amine is sourced from PubChem (CID 64648734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).