3-amino-4-(1-cyclopentyltetrazol-5-yl)sulfanylbutan-1-ol

C10H19N5OS — CID 64897515

IUPAC3-amino-4-(1-cyclopentyltetrazol-5-yl)sulfanylbutan-1-ol
SMILESNC(CCO)CSc1nnnn1C1CCCC1
InChIInChI=1S/C10H19N5OS/c11-8(5-6-16)7-17-10-12-13-14-15(10)9-3-1-2-4-9/h8-9,16H,1-7,11H2
InChIKeyFJKZJNKEMSZYJN-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.59
Rot. Bonds6

About 3-amino-4-(1-cyclopentyltetrazol-5-yl)sulfanylbutan-1-ol

3-amino-4-(1-cyclopentyltetrazol-5-yl)sulfanylbutan-1-ol (PubChem CID 64897515) has the molecular formula C10H19N5OS and a molecular weight of 257.36 g/mol. Its IUPAC name is 3-amino-4-(1-cyclopentyltetrazol-5-yl)sulfanylbutan-1-ol.

Molecular Properties

Compound Name3-amino-4-(1-cyclopentyltetrazol-5-yl)sulfanylbutan-1-ol
PubChem CID64897515
Molecular FormulaC10H19N5OS
Molecular Weight257.36 g/mol
Exact Mass257.13
IUPAC Name3-amino-4-(1-cyclopentyltetrazol-5-yl)sulfanylbutan-1-ol
SMILESNC(CCO)CSc1nnnn1C1CCCC1
InChIInChI=1S/C10H19N5OS/c11-8(5-6-16)7-17-10-12-13-14-15(10)9-3-1-2-4-9/h8-9,16H,1-7,11H2
InChIKeyFJKZJNKEMSZYJN-UHFFFAOYSA-N
XLogP0.59
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(1-cyclopentyltetrazol-5-yl)sulfanylpropan-2-amine
CID 64649517
1-(1-cyclopropyltetrazol-5-yl)sulfanylpentan-2-amine
CID 64649342
3-(1-cyclopentyltetrazol-5-yl)sulfanyl-1,1,1-trifluoropropan-2-ol
CID 63901665
propan-2-yl 2-(1-cyclopentyltetrazol-5-yl)sulfanylacetate
CID 47124350
1-cyclohexyl-5-[3-(1-cyclohexyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole
CID 13061970
5-[2-(bromomethyl)-3-methylbutyl]sulfanyl-1-cyclopentyltetrazole
CID 65011776
3-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide
CID 37044918
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-cyclopropylethanone
CID 63902701
methyl 4-(1-cyclopentyltetrazol-5-yl)sulfanyl-2-(ethylamino)butanoate
CID 63035729
4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylbutan-2-amine
CID 64648734
1-(2-chlorophenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanol
CID 110897654
N,N-dicyclohexyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide
CID 3870642

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(1-cyclopentyltetrazol-5-yl)sulfanylbutan-1-ol?
The IUPAC name of 3-amino-4-(1-cyclopentyltetrazol-5-yl)sulfanylbutan-1-ol (CID 64897515) is 3-amino-4-(1-cyclopentyltetrazol-5-yl)sulfanylbutan-1-ol.
What is the SMILES notation for 3-amino-4-(1-cyclopentyltetrazol-5-yl)sulfanylbutan-1-ol?
The canonical SMILES for 3-amino-4-(1-cyclopentyltetrazol-5-yl)sulfanylbutan-1-ol is NC(CCO)CSc1nnnn1C1CCCC1.
What is the InChIKey of 3-amino-4-(1-cyclopentyltetrazol-5-yl)sulfanylbutan-1-ol?
The InChIKey is FJKZJNKEMSZYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5OS/c11-8(5-6-16)7-17-10-12-13-14-15(10)9-3-1-2-4-9/h8-9,16H,1-7,11H2.
What are the key properties of 3-amino-4-(1-cyclopentyltetrazol-5-yl)sulfanylbutan-1-ol?
3-amino-4-(1-cyclopentyltetrazol-5-yl)sulfanylbutan-1-ol has a molecular weight of 257.36 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(1-cyclopentyltetrazol-5-yl)sulfanylbutan-1-ol is sourced from PubChem (CID 64897515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).