1-amino-3-(1-cyclopentyltetrazol-5-yl)sulfanylpropan-2-ol

C9H17N5OS — CID 43188125

IUPAC1-amino-3-(1-cyclopentyltetrazol-5-yl)sulfanylpropan-2-ol
SMILESNCC(O)CSc1nnnn1C1CCCC1
InChIInChI=1S/C9H17N5OS/c10-5-8(15)6-16-9-11-12-13-14(9)7-3-1-2-4-7/h7-8,15H,1-6,10H2
InChIKeyUOWZWADOIDBHCQ-UHFFFAOYSA-N
MW243.34 g/mol
LogP0.20
Rot. Bonds5

About 1-amino-3-(1-cyclopentyltetrazol-5-yl)sulfanylpropan-2-ol

1-amino-3-(1-cyclopentyltetrazol-5-yl)sulfanylpropan-2-ol (PubChem CID 43188125) has the molecular formula C9H17N5OS and a molecular weight of 243.34 g/mol. Its IUPAC name is 1-amino-3-(1-cyclopentyltetrazol-5-yl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-amino-3-(1-cyclopentyltetrazol-5-yl)sulfanylpropan-2-ol
PubChem CID43188125
Molecular FormulaC9H17N5OS
Molecular Weight243.34 g/mol
Exact Mass243.12
IUPAC Name1-amino-3-(1-cyclopentyltetrazol-5-yl)sulfanylpropan-2-ol
SMILESNCC(O)CSc1nnnn1C1CCCC1
InChIInChI=1S/C9H17N5OS/c10-5-8(15)6-16-9-11-12-13-14(9)7-3-1-2-4-7/h7-8,15H,1-6,10H2
InChIKeyUOWZWADOIDBHCQ-UHFFFAOYSA-N
XLogP0.20
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(1-cyclopentyltetrazol-5-yl)sulfanylpropan-2-ol?
The IUPAC name of 1-amino-3-(1-cyclopentyltetrazol-5-yl)sulfanylpropan-2-ol (CID 43188125) is 1-amino-3-(1-cyclopentyltetrazol-5-yl)sulfanylpropan-2-ol.
What is the SMILES notation for 1-amino-3-(1-cyclopentyltetrazol-5-yl)sulfanylpropan-2-ol?
The canonical SMILES for 1-amino-3-(1-cyclopentyltetrazol-5-yl)sulfanylpropan-2-ol is NCC(O)CSc1nnnn1C1CCCC1.
What is the InChIKey of 1-amino-3-(1-cyclopentyltetrazol-5-yl)sulfanylpropan-2-ol?
The InChIKey is UOWZWADOIDBHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5OS/c10-5-8(15)6-16-9-11-12-13-14(9)7-3-1-2-4-7/h7-8,15H,1-6,10H2.
What are the key properties of 1-amino-3-(1-cyclopentyltetrazol-5-yl)sulfanylpropan-2-ol?
1-amino-3-(1-cyclopentyltetrazol-5-yl)sulfanylpropan-2-ol has a molecular weight of 243.34 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(1-cyclopentyltetrazol-5-yl)sulfanylpropan-2-ol is sourced from PubChem (CID 43188125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).