2-(aminomethyl)-2-(thiadiazol-4-ylmethyl)cyclopentan-1-ol

C9H15N3OS — CID 130550062

IUPAC2-(aminomethyl)-2-(thiadiazol-4-ylmethyl)cyclopentan-1-ol
SMILESNCC1(Cc2csnn2)CCCC1O
InChIInChI=1S/C9H15N3OS/c10-6-9(3-1-2-8(9)13)4-7-5-14-12-11-7/h5,8,13H,1-4,6,10H2
InChIKeyYNCBQUXWYBJRBC-UHFFFAOYSA-N
MW213.31 g/mol
LogP0.57
Rot. Bonds3

About 2-(aminomethyl)-2-(thiadiazol-4-ylmethyl)cyclopentan-1-ol

2-(aminomethyl)-2-(thiadiazol-4-ylmethyl)cyclopentan-1-ol (PubChem CID 130550062) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 2-(aminomethyl)-2-(thiadiazol-4-ylmethyl)cyclopentan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-(thiadiazol-4-ylmethyl)cyclopentan-1-ol
PubChem CID130550062
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name2-(aminomethyl)-2-(thiadiazol-4-ylmethyl)cyclopentan-1-ol
SMILESNCC1(Cc2csnn2)CCCC1O
InChIInChI=1S/C9H15N3OS/c10-6-9(3-1-2-8(9)13)4-7-5-14-12-11-7/h5,8,13H,1-4,6,10H2
InChIKeyYNCBQUXWYBJRBC-UHFFFAOYSA-N
XLogP0.57
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CID 130549767
CID 130549767
CID 130592727
CID 130592727
CID 130592728
CID 130592728
CID 131137796
CID 131137796
CID 165599131
CID 165599131
CID 165628991
CID 165628991

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-(thiadiazol-4-ylmethyl)cyclopentan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-(thiadiazol-4-ylmethyl)cyclopentan-1-ol (CID 130550062) is 2-(aminomethyl)-2-(thiadiazol-4-ylmethyl)cyclopentan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-(thiadiazol-4-ylmethyl)cyclopentan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-(thiadiazol-4-ylmethyl)cyclopentan-1-ol is NCC1(Cc2csnn2)CCCC1O.
What is the InChIKey of 2-(aminomethyl)-2-(thiadiazol-4-ylmethyl)cyclopentan-1-ol?
The InChIKey is YNCBQUXWYBJRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c10-6-9(3-1-2-8(9)13)4-7-5-14-12-11-7/h5,8,13H,1-4,6,10H2.
What are the key properties of 2-(aminomethyl)-2-(thiadiazol-4-ylmethyl)cyclopentan-1-ol?
2-(aminomethyl)-2-(thiadiazol-4-ylmethyl)cyclopentan-1-ol has a molecular weight of 213.31 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-(thiadiazol-4-ylmethyl)cyclopentan-1-ol is sourced from PubChem (CID 130550062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).