N,2,2-trimethyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentan-1-amine

C11H19N3S2 — CID 79862767

IUPACN,2,2-trimethyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentan-1-amine
SMILESCNC1C(Sc2nnc(C)s2)CCC1(C)C
InChIInChI=1S/C11H19N3S2/c1-7-13-14-10(15-7)16-8-5-6-11(2,3)9(8)12-4/h8-9,12H,5-6H2,1-4H3
InChIKeyAMHSNKGXPMZPAN-UHFFFAOYSA-N
MW257.43 g/mol
LogP2.72
Rot. Bonds3

About N,2,2-trimethyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentan-1-amine

N,2,2-trimethyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentan-1-amine (PubChem CID 79862767) has the molecular formula C11H19N3S2 and a molecular weight of 257.43 g/mol. Its IUPAC name is N,2,2-trimethyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentan-1-amine
PubChem CID79862767
Molecular FormulaC11H19N3S2
Molecular Weight257.43 g/mol
Exact Mass257.10
IUPAC NameN,2,2-trimethyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentan-1-amine
SMILESCNC1C(Sc2nnc(C)s2)CCC1(C)C
InChIInChI=1S/C11H19N3S2/c1-7-13-14-10(15-7)16-8-5-6-11(2,3)9(8)12-4/h8-9,12H,5-6H2,1-4H3
InChIKeyAMHSNKGXPMZPAN-UHFFFAOYSA-N
XLogP2.72
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentan-1-amine?
The IUPAC name of N,2,2-trimethyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentan-1-amine (CID 79862767) is N,2,2-trimethyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentan-1-amine.
What is the SMILES notation for N,2,2-trimethyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentan-1-amine?
The canonical SMILES for N,2,2-trimethyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentan-1-amine is CNC1C(Sc2nnc(C)s2)CCC1(C)C.
What is the InChIKey of N,2,2-trimethyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentan-1-amine?
The InChIKey is AMHSNKGXPMZPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S2/c1-7-13-14-10(15-7)16-8-5-6-11(2,3)9(8)12-4/h8-9,12H,5-6H2,1-4H3.
What are the key properties of N,2,2-trimethyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentan-1-amine?
N,2,2-trimethyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentan-1-amine has a molecular weight of 257.43 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentan-1-amine is sourced from PubChem (CID 79862767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).