3-amino-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-methylpentan-1-ol

C10H19N5OS — CID 114370185

IUPAC3-amino-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-methylpentan-1-ol
SMILESCC(C)C(N)C(CO)Sc1nnnn1C1CC1
InChIInChI=1S/C10H19N5OS/c1-6(2)9(11)8(5-16)17-10-12-13-14-15(10)7-3-4-7/h6-9,16H,3-5,11H2,1-2H3
InChIKeyJOQNLZKSUNHJKS-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.44
Rot. Bonds6

About 3-amino-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-methylpentan-1-ol

3-amino-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-methylpentan-1-ol (PubChem CID 114370185) has the molecular formula C10H19N5OS and a molecular weight of 257.36 g/mol. Its IUPAC name is 3-amino-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-amino-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-methylpentan-1-ol
PubChem CID114370185
Molecular FormulaC10H19N5OS
Molecular Weight257.36 g/mol
Exact Mass257.13
IUPAC Name3-amino-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-methylpentan-1-ol
SMILESCC(C)C(N)C(CO)Sc1nnnn1C1CC1
InChIInChI=1S/C10H19N5OS/c1-6(2)9(11)8(5-16)17-10-12-13-14-15(10)7-3-4-7/h6-9,16H,3-5,11H2,1-2H3
InChIKeyJOQNLZKSUNHJKS-UHFFFAOYSA-N
XLogP0.44
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 ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(1-cyclopropyltetrazol-5-yl)sulfanylpentan-2-amine
CID 64649342
3-(1-cyclopropyltetrazol-5-yl)sulfanylbutanenitrile
CID 60914500
3-amino-2-(1-methyltetrazol-5-yl)sulfanylbutan-1-ol
CID 64899830
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(4-ethylphenyl)propan-1-amine
CID 64648749
1-(1-cyclopentyltetrazol-5-yl)sulfanylpropan-2-amine
CID 64649517
3-amino-4-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-ol
CID 114370173
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methylpentan-3-amine
CID 64647783
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methoxyacetamide
CID 30907405
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N'-hydroxypropanimidamide
CID 76915210
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-methoxyethyl)propan-1-amine
CID 62577032
3-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethylheptan-4-amine
CID 64648752
1-cyclopropyl-5-(5-methoxypentan-2-ylsulfanyl)tetrazole
CID 71907294

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-methylpentan-1-ol?
The IUPAC name of 3-amino-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-methylpentan-1-ol (CID 114370185) is 3-amino-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-methylpentan-1-ol.
What is the SMILES notation for 3-amino-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-methylpentan-1-ol?
The canonical SMILES for 3-amino-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-methylpentan-1-ol is CC(C)C(N)C(CO)Sc1nnnn1C1CC1.
What is the InChIKey of 3-amino-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-methylpentan-1-ol?
The InChIKey is JOQNLZKSUNHJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5OS/c1-6(2)9(11)8(5-16)17-10-12-13-14-15(10)7-3-4-7/h6-9,16H,3-5,11H2,1-2H3.
What are the key properties of 3-amino-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-methylpentan-1-ol?
3-amino-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-methylpentan-1-ol has a molecular weight of 257.36 g/mol, XLogP of 0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-methylpentan-1-ol is sourced from PubChem (CID 114370185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).