1-(1-cyclopropyltetrazol-5-yl)sulfanylpentan-2-amine

C9H17N5S — CID 64649342

IUPAC1-(1-cyclopropyltetrazol-5-yl)sulfanylpentan-2-amine
SMILESCCCC(N)CSc1nnnn1C1CC1
InChIInChI=1S/C9H17N5S/c1-2-3-7(10)6-15-9-11-12-13-14(9)8-4-5-8/h7-8H,2-6,10H2,1H3
InChIKeyJMQGLHYDJGCZIX-UHFFFAOYSA-N
MW227.34 g/mol
LogP1.23
Rot. Bonds6

About 1-(1-cyclopropyltetrazol-5-yl)sulfanylpentan-2-amine

1-(1-cyclopropyltetrazol-5-yl)sulfanylpentan-2-amine (PubChem CID 64649342) has the molecular formula C9H17N5S and a molecular weight of 227.34 g/mol. Its IUPAC name is 1-(1-cyclopropyltetrazol-5-yl)sulfanylpentan-2-amine.

Molecular Properties

Compound Name1-(1-cyclopropyltetrazol-5-yl)sulfanylpentan-2-amine
PubChem CID64649342
Molecular FormulaC9H17N5S
Molecular Weight227.34 g/mol
Exact Mass227.12
IUPAC Name1-(1-cyclopropyltetrazol-5-yl)sulfanylpentan-2-amine
SMILESCCCC(N)CSc1nnnn1C1CC1
InChIInChI=1S/C9H17N5S/c1-2-3-7(10)6-15-9-11-12-13-14(9)8-4-5-8/h7-8H,2-6,10H2,1H3
InChIKeyJMQGLHYDJGCZIX-UHFFFAOYSA-N
XLogP1.23
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.34
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-4-(1-cyclopentyltetrazol-5-yl)sulfanylbutan-1-ol
CID 64897515
1-(1-cyclopentyltetrazol-5-yl)sulfanylpropan-2-amine
CID 64649517
1-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethylbutan-2-amine
CID 64650320
1-cyclopropyl-5-(3,3-diethoxypropylsulfanyl)tetrazole
CID 63628121
3-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethylheptan-4-amine
CID 64648752
ethyl 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(methylamino)butanoate
CID 63033246
ethyl 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(propylamino)butanoate
CID 63035201
5-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-propylpentan-2-amine
CID 64648944
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(3-fluorophenyl)ethanamine
CID 107524669
ethyl 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-oxobutanoate
CID 60693268
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methoxyacetamide
CID 30907405
5-(2-bromoethylsulfanyl)-1-cyclopropyltetrazole
CID 43445926

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropyltetrazol-5-yl)sulfanylpentan-2-amine?
The IUPAC name of 1-(1-cyclopropyltetrazol-5-yl)sulfanylpentan-2-amine (CID 64649342) is 1-(1-cyclopropyltetrazol-5-yl)sulfanylpentan-2-amine.
What is the SMILES notation for 1-(1-cyclopropyltetrazol-5-yl)sulfanylpentan-2-amine?
The canonical SMILES for 1-(1-cyclopropyltetrazol-5-yl)sulfanylpentan-2-amine is CCCC(N)CSc1nnnn1C1CC1.
What is the InChIKey of 1-(1-cyclopropyltetrazol-5-yl)sulfanylpentan-2-amine?
The InChIKey is JMQGLHYDJGCZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5S/c1-2-3-7(10)6-15-9-11-12-13-14(9)8-4-5-8/h7-8H,2-6,10H2,1H3.
What are the key properties of 1-(1-cyclopropyltetrazol-5-yl)sulfanylpentan-2-amine?
1-(1-cyclopropyltetrazol-5-yl)sulfanylpentan-2-amine has a molecular weight of 227.34 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropyltetrazol-5-yl)sulfanylpentan-2-amine is sourced from PubChem (CID 64649342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).