N-[2-(1-cyclopentyltetrazol-5-yl)sulfanylethyl]-2-methylpropan-2-amine

C12H23N5S — CID 55071080

IUPACN-[2-(1-cyclopentyltetrazol-5-yl)sulfanylethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCSc1nnnn1C1CCCC1
InChIInChI=1S/C12H23N5S/c1-12(2,3)13-8-9-18-11-14-15-16-17(11)10-6-4-5-7-10/h10,13H,4-9H2,1-3H3
InChIKeyUZICBJHINRNSKK-UHFFFAOYSA-N
MW269.42 g/mol
LogP2.27
Rot. Bonds5

About N-[2-(1-cyclopentyltetrazol-5-yl)sulfanylethyl]-2-methylpropan-2-amine

N-[2-(1-cyclopentyltetrazol-5-yl)sulfanylethyl]-2-methylpropan-2-amine (PubChem CID 55071080) has the molecular formula C12H23N5S and a molecular weight of 269.42 g/mol. Its IUPAC name is N-[2-(1-cyclopentyltetrazol-5-yl)sulfanylethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(1-cyclopentyltetrazol-5-yl)sulfanylethyl]-2-methylpropan-2-amine
PubChem CID55071080
Molecular FormulaC12H23N5S
Molecular Weight269.42 g/mol
Exact Mass269.17
IUPAC NameN-[2-(1-cyclopentyltetrazol-5-yl)sulfanylethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCSc1nnnn1C1CCCC1
InChIInChI=1S/C12H23N5S/c1-12(2,3)13-8-9-18-11-14-15-16-17(11)10-6-4-5-7-10/h10,13H,4-9H2,1-3H3
InChIKeyUZICBJHINRNSKK-UHFFFAOYSA-N
XLogP2.27
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
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

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-4-(1-cyclopropyltetrazol-5-yl)sulfanylbutan-1-amine
CID 62578301
N-[2-(1-cyclopentyltetrazol-5-yl)sulfanylethyl]propan-2-amine
CID 61386323
N-tert-butyl-2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]prop-2-en-1-amine
CID 103068279
4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylbutan-1-amine
CID 62576620
1-cyclohexyl-5-[3-(1-cyclohexyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole
CID 13061970
N-[2-(1-cyclopropyltetrazol-5-yl)sulfanylethyl]propan-2-amine
CID 61386414
1-cyclohexyl-5-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole
CID 13061939
4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-propylbutan-2-amine
CID 64648928
1-(1-cyclopentyltetrazol-5-yl)sulfanyl-3,3-dimethyl-N-propylbutan-2-amine
CID 64649712
4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylbutan-2-amine
CID 64648734
5-(5-chloropentylsulfanyl)-1-cyclopentyltetrazole
CID 43445911
3-(1-cyclopentyltetrazol-5-yl)sulfanyl-2,2-dimethylpropanoic acid
CID 79629924

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-cyclopentyltetrazol-5-yl)sulfanylethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(1-cyclopentyltetrazol-5-yl)sulfanylethyl]-2-methylpropan-2-amine (CID 55071080) is N-[2-(1-cyclopentyltetrazol-5-yl)sulfanylethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(1-cyclopentyltetrazol-5-yl)sulfanylethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(1-cyclopentyltetrazol-5-yl)sulfanylethyl]-2-methylpropan-2-amine is CC(C)(C)NCCSc1nnnn1C1CCCC1.
What is the InChIKey of N-[2-(1-cyclopentyltetrazol-5-yl)sulfanylethyl]-2-methylpropan-2-amine?
The InChIKey is UZICBJHINRNSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5S/c1-12(2,3)13-8-9-18-11-14-15-16-17(11)10-6-4-5-7-10/h10,13H,4-9H2,1-3H3.
What are the key properties of N-[2-(1-cyclopentyltetrazol-5-yl)sulfanylethyl]-2-methylpropan-2-amine?
N-[2-(1-cyclopentyltetrazol-5-yl)sulfanylethyl]-2-methylpropan-2-amine has a molecular weight of 269.42 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-cyclopentyltetrazol-5-yl)sulfanylethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 55071080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).