3-amino-2-(1-methyltetrazol-5-yl)sulfanylbutan-1-ol

C6H13N5OS — CID 64899830

IUPAC3-amino-2-(1-methyltetrazol-5-yl)sulfanylbutan-1-ol
SMILESCC(N)C(CO)Sc1nnnn1C
InChIInChI=1S/C6H13N5OS/c1-4(7)5(3-12)13-6-8-9-10-11(6)2/h4-5,12H,3,7H2,1-2H3
InChIKeyZTDUTSLOGABAQY-UHFFFAOYSA-N
MW203.27 g/mol
LogP-0.99
Rot. Bonds4

About 3-amino-2-(1-methyltetrazol-5-yl)sulfanylbutan-1-ol

3-amino-2-(1-methyltetrazol-5-yl)sulfanylbutan-1-ol (PubChem CID 64899830) has the molecular formula C6H13N5OS and a molecular weight of 203.27 g/mol. Its IUPAC name is 3-amino-2-(1-methyltetrazol-5-yl)sulfanylbutan-1-ol.

Molecular Properties

Compound Name3-amino-2-(1-methyltetrazol-5-yl)sulfanylbutan-1-ol
PubChem CID64899830
Molecular FormulaC6H13N5OS
Molecular Weight203.27 g/mol
Exact Mass203.08
IUPAC Name3-amino-2-(1-methyltetrazol-5-yl)sulfanylbutan-1-ol
SMILESCC(N)C(CO)Sc1nnnn1C
InChIInChI=1S/C6H13N5OS/c1-4(7)5(3-12)13-6-8-9-10-11(6)2/h4-5,12H,3,7H2,1-2H3
InChIKeyZTDUTSLOGABAQY-UHFFFAOYSA-N
XLogP-0.99
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(1-methyltetrazol-5-yl)sulfanylheptan-4-amine
CID 64620599
3-amino-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-methylpentan-1-ol
CID 114370185
3-(1-methyltetrazol-5-yl)sulfanylpropan-1-ol
CID 43388613
2-amino-2-methyl-4-(1-methyltetrazol-5-yl)sulfanylpentanoic acid
CID 64709292
3-(1-methyltetrazol-5-yl)sulfanylpentanimidamide
CID 43369005
1-methyl-5-[(1-methyltetrazol-5-yl)sulfanylmethylsulfanyl]tetrazole
CID 1281683
3-(1-methyltetrazol-5-yl)sulfanyl-N-propylbutan-2-amine
CID 64620207
N,N,3-trimethyl-2-(1-methyltetrazol-5-yl)sulfanylbutanamide
CID 47080270
3-amino-4,4-dimethyl-2-(1-phenyltetrazol-5-yl)sulfanylpentan-1-ol
CID 114370230
3,3-dimethyl-1-(1-methyltetrazol-5-yl)sulfanylbutan-2-amine
CID 64620404
3-amino-4-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-ol
CID 114370173
2-methyl-3-(1-methyltetrazol-5-yl)sulfanylpropanoic acid
CID 43538122

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(1-methyltetrazol-5-yl)sulfanylbutan-1-ol?
The IUPAC name of 3-amino-2-(1-methyltetrazol-5-yl)sulfanylbutan-1-ol (CID 64899830) is 3-amino-2-(1-methyltetrazol-5-yl)sulfanylbutan-1-ol.
What is the SMILES notation for 3-amino-2-(1-methyltetrazol-5-yl)sulfanylbutan-1-ol?
The canonical SMILES for 3-amino-2-(1-methyltetrazol-5-yl)sulfanylbutan-1-ol is CC(N)C(CO)Sc1nnnn1C.
What is the InChIKey of 3-amino-2-(1-methyltetrazol-5-yl)sulfanylbutan-1-ol?
The InChIKey is ZTDUTSLOGABAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N5OS/c1-4(7)5(3-12)13-6-8-9-10-11(6)2/h4-5,12H,3,7H2,1-2H3.
What are the key properties of 3-amino-2-(1-methyltetrazol-5-yl)sulfanylbutan-1-ol?
3-amino-2-(1-methyltetrazol-5-yl)sulfanylbutan-1-ol has a molecular weight of 203.27 g/mol, XLogP of -0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(1-methyltetrazol-5-yl)sulfanylbutan-1-ol is sourced from PubChem (CID 64899830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).