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

C13H25N5S — CID 64648928

IUPAC4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-propylbutan-2-amine
SMILESCCCNC(C)CCSc1nnnn1C1CCCC1
InChIInChI=1S/C13H25N5S/c1-3-9-14-11(2)8-10-19-13-15-16-17-18(13)12-6-4-5-7-12/h11-12,14H,3-10H2,1-2H3
InChIKeyDXYYCRKHKXWUHF-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.66
Rot. Bonds8

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

4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-propylbutan-2-amine (PubChem CID 64648928) has the molecular formula C13H25N5S and a molecular weight of 283.44 g/mol. Its IUPAC name is 4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-propylbutan-2-amine.

Molecular Properties

Compound Name4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-propylbutan-2-amine
PubChem CID64648928
Molecular FormulaC13H25N5S
Molecular Weight283.44 g/mol
Exact Mass283.18
IUPAC Name4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-propylbutan-2-amine
SMILESCCCNC(C)CCSc1nnnn1C1CCCC1
InChIInChI=1S/C13H25N5S/c1-3-9-14-11(2)8-10-19-13-15-16-17-18(13)12-6-4-5-7-12/h11-12,14H,3-10H2,1-2H3
InChIKeyDXYYCRKHKXWUHF-UHFFFAOYSA-N
XLogP2.66
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylbutan-2-amine
CID 64648734
5-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-propylpentan-2-amine
CID 64648944
N-[2-(1-cyclopentyltetrazol-5-yl)sulfanylethyl]propan-2-amine
CID 61386323
4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(propylamino)butanenitrile
CID 55145079
1-(1-cyclopentyltetrazol-5-yl)sulfanyl-3,3-dimethyl-N-propylbutan-2-amine
CID 64649712
N-[2-(1-cyclopropyltetrazol-5-yl)sulfanylethyl]propan-2-amine
CID 61386414
ethyl 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(propylamino)butanoate
CID 63035201
4-(1-cyclopentyltetrazol-5-yl)sulfanyl-2-(propan-2-ylamino)butanenitrile
CID 63053368
methyl 4-(1-cyclopentyltetrazol-5-yl)sulfanyl-2-(ethylamino)butanoate
CID 63035729
N-[2-(1-cyclopropyltetrazol-5-yl)sulfanylethyl]-1-methoxypropan-2-amine
CID 62576626
4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylbutan-1-amine
CID 62576620
1-(1-cyclopentyltetrazol-5-yl)sulfanylpropan-2-amine
CID 64649517

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-propylbutan-2-amine?
The IUPAC name of 4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-propylbutan-2-amine (CID 64648928) is 4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-propylbutan-2-amine.
What is the SMILES notation for 4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-propylbutan-2-amine?
The canonical SMILES for 4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-propylbutan-2-amine is CCCNC(C)CCSc1nnnn1C1CCCC1.
What is the InChIKey of 4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-propylbutan-2-amine?
The InChIKey is DXYYCRKHKXWUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5S/c1-3-9-14-11(2)8-10-19-13-15-16-17-18(13)12-6-4-5-7-12/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-propylbutan-2-amine?
4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-propylbutan-2-amine has a molecular weight of 283.44 g/mol, XLogP of 2.66, 8 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-propylbutan-2-amine is sourced from PubChem (CID 64648928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).