2,2-dimethyl-5-(5-methylpyrimidin-2-yl)sulfanyl-N-propylcyclopentan-1-amine

C15H25N3S — CID 79862776

IUPAC2,2-dimethyl-5-(5-methylpyrimidin-2-yl)sulfanyl-N-propylcyclopentan-1-amine
SMILESCCCNC1C(Sc2ncc(C)cn2)CCC1(C)C
InChIInChI=1S/C15H25N3S/c1-5-8-16-13-12(6-7-15(13,3)4)19-14-17-9-11(2)10-18-14/h9-10,12-13,16H,5-8H2,1-4H3
InChIKeyCQMDHABAWRRROV-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.43
Rot. Bonds5

About 2,2-dimethyl-5-(5-methylpyrimidin-2-yl)sulfanyl-N-propylcyclopentan-1-amine

2,2-dimethyl-5-(5-methylpyrimidin-2-yl)sulfanyl-N-propylcyclopentan-1-amine (PubChem CID 79862776) has the molecular formula C15H25N3S and a molecular weight of 279.45 g/mol. Its IUPAC name is 2,2-dimethyl-5-(5-methylpyrimidin-2-yl)sulfanyl-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-5-(5-methylpyrimidin-2-yl)sulfanyl-N-propylcyclopentan-1-amine
PubChem CID79862776
Molecular FormulaC15H25N3S
Molecular Weight279.45 g/mol
Exact Mass279.18
IUPAC Name2,2-dimethyl-5-(5-methylpyrimidin-2-yl)sulfanyl-N-propylcyclopentan-1-amine
SMILESCCCNC1C(Sc2ncc(C)cn2)CCC1(C)C
InChIInChI=1S/C15H25N3S/c1-5-8-16-13-12(6-7-15(13,3)4)19-14-17-9-11(2)10-18-14/h9-10,12-13,16H,5-8H2,1-4H3
InChIKeyCQMDHABAWRRROV-UHFFFAOYSA-N
XLogP3.43
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylcyclopentan-1-amine
CID 79862564
2,2-dimethyl-5-(4-nitrophenyl)sulfanyl-N-propylcyclopentan-1-amine
CID 79866350
5-(3-bromophenyl)sulfanyl-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 79862668
3-(5-methylpyrimidin-2-yl)sulfanyl-N-propylcyclohexan-1-amine
CID 64722413
N-ethyl-2,2-dimethyl-5-pyrimidin-4-ylsulfanylcyclopentan-1-amine
CID 79862977
2,2-dimethyl-N-propyl-6-thiophen-2-ylsulfanylcyclohexan-1-amine
CID 79847964
N-ethyl-5-(1H-imidazol-2-ylsulfanyl)-2,2-dimethylcyclopentan-1-amine
CID 107784030
N-ethyl-7-(5-methylpyrimidin-2-yl)sulfanyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 64628559
N-ethyl-2,2-dimethyl-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclopentan-1-amine
CID 79863183
N-ethyl-5-(2-fluorophenyl)sulfanyl-2,2-dimethylcyclopentan-1-amine
CID 79862965
6-cyclopentylsulfanyl-2,2-dimethyl-N-propylcyclohexan-1-amine
CID 79847103
2,2-dimethyl-6-[(2-methylphenyl)methylsulfanyl]-N-propylcyclohexan-1-amine
CID 79841962

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(5-methylpyrimidin-2-yl)sulfanyl-N-propylcyclopentan-1-amine?
The IUPAC name of 2,2-dimethyl-5-(5-methylpyrimidin-2-yl)sulfanyl-N-propylcyclopentan-1-amine (CID 79862776) is 2,2-dimethyl-5-(5-methylpyrimidin-2-yl)sulfanyl-N-propylcyclopentan-1-amine.
What is the SMILES notation for 2,2-dimethyl-5-(5-methylpyrimidin-2-yl)sulfanyl-N-propylcyclopentan-1-amine?
The canonical SMILES for 2,2-dimethyl-5-(5-methylpyrimidin-2-yl)sulfanyl-N-propylcyclopentan-1-amine is CCCNC1C(Sc2ncc(C)cn2)CCC1(C)C.
What is the InChIKey of 2,2-dimethyl-5-(5-methylpyrimidin-2-yl)sulfanyl-N-propylcyclopentan-1-amine?
The InChIKey is CQMDHABAWRRROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3S/c1-5-8-16-13-12(6-7-15(13,3)4)19-14-17-9-11(2)10-18-14/h9-10,12-13,16H,5-8H2,1-4H3.
What are the key properties of 2,2-dimethyl-5-(5-methylpyrimidin-2-yl)sulfanyl-N-propylcyclopentan-1-amine?
2,2-dimethyl-5-(5-methylpyrimidin-2-yl)sulfanyl-N-propylcyclopentan-1-amine has a molecular weight of 279.45 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(5-methylpyrimidin-2-yl)sulfanyl-N-propylcyclopentan-1-amine is sourced from PubChem (CID 79862776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).