N-tert-butyl-2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]prop-2-en-1-amine

C14H25N5S — CID 103068279

IUPACN-tert-butyl-2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]prop-2-en-1-amine
SMILESC=C(CNC(C)(C)C)CSc1nnnn1C1CCCC1
InChIInChI=1S/C14H25N5S/c1-11(9-15-14(2,3)4)10-20-13-16-17-18-19(13)12-7-5-6-8-12/h12,15H,1,5-10H2,2-4H3
InChIKeyNGVWCLJVPASFSS-UHFFFAOYSA-N
MW295.46 g/mol
LogP2.82
Rot. Bonds6

About N-tert-butyl-2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]prop-2-en-1-amine

N-tert-butyl-2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]prop-2-en-1-amine (PubChem CID 103068279) has the molecular formula C14H25N5S and a molecular weight of 295.46 g/mol. Its IUPAC name is N-tert-butyl-2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]prop-2-en-1-amine
PubChem CID103068279
Molecular FormulaC14H25N5S
Molecular Weight295.46 g/mol
Exact Mass295.18
IUPAC NameN-tert-butyl-2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]prop-2-en-1-amine
SMILESC=C(CNC(C)(C)C)CSc1nnnn1C1CCCC1
InChIInChI=1S/C14H25N5S/c1-11(9-15-14(2,3)4)10-20-13-16-17-18-19(13)12-7-5-6-8-12/h12,15H,1,5-10H2,2-4H3
InChIKeyNGVWCLJVPASFSS-UHFFFAOYSA-N
XLogP2.82
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.46
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-tert-butyl-2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]prop-2-en-1-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

N-[2-(1-cyclopentyltetrazol-5-yl)sulfanylethyl]-2-methylpropan-2-amine
CID 55071080
N-tert-butyl-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]prop-2-en-1-amine
CID 103068309
3-(1-cyclopentyltetrazol-5-yl)sulfanyl-2,2-dimethylpropanoic acid
CID 79629924
N-tert-butyl-4-(1-cyclopropyltetrazol-5-yl)sulfanylbutan-1-amine
CID 62578301
1-(1-cyclopropyltetrazol-5-yl)sulfanyl-3,3-dimethylbutan-2-one
CID 43231239
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-cyclopropylethanone
CID 63902701
N-cyclopentyl-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
CID 1383738
1-cyclohexyl-5-[3-(1-cyclohexyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole
CID 13061970
N-[2-(1-cyclopentyltetrazol-5-yl)sulfanylethyl]propan-2-amine
CID 61386323
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
CID 55953871
4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylbutan-1-amine
CID 62576620
propan-2-yl 2-(1-cyclopentyltetrazol-5-yl)sulfanylacetate
CID 47124350

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]prop-2-en-1-amine?
The IUPAC name of N-tert-butyl-2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]prop-2-en-1-amine (CID 103068279) is N-tert-butyl-2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]prop-2-en-1-amine.
What is the SMILES notation for N-tert-butyl-2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]prop-2-en-1-amine?
The canonical SMILES for N-tert-butyl-2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]prop-2-en-1-amine is C=C(CNC(C)(C)C)CSc1nnnn1C1CCCC1.
What is the InChIKey of N-tert-butyl-2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]prop-2-en-1-amine?
The InChIKey is NGVWCLJVPASFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5S/c1-11(9-15-14(2,3)4)10-20-13-16-17-18-19(13)12-7-5-6-8-12/h12,15H,1,5-10H2,2-4H3.
What are the key properties of N-tert-butyl-2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]prop-2-en-1-amine?
N-tert-butyl-2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]prop-2-en-1-amine has a molecular weight of 295.46 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]prop-2-en-1-amine is sourced from PubChem (CID 103068279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).