2,2-dimethyl-5-(4-nitrophenyl)sulfanyl-N-propylcyclopentan-1-amine

C16H24N2O2S — CID 79866350

IUPAC2,2-dimethyl-5-(4-nitrophenyl)sulfanyl-N-propylcyclopentan-1-amine
SMILESCCCNC1C(Sc2ccc([N+](=O)[O-])cc2)CCC1(C)C
InChIInChI=1S/C16H24N2O2S/c1-4-11-17-15-14(9-10-16(15,2)3)21-13-7-5-12(6-8-13)18(19)20/h5-8,14-15,17H,4,9-11H2,1-3H3
InChIKeyKZSBZKLMQCALNP-UHFFFAOYSA-N
MW308.45 g/mol
LogP4.24
Rot. Bonds6

About 2,2-dimethyl-5-(4-nitrophenyl)sulfanyl-N-propylcyclopentan-1-amine

2,2-dimethyl-5-(4-nitrophenyl)sulfanyl-N-propylcyclopentan-1-amine (PubChem CID 79866350) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 2,2-dimethyl-5-(4-nitrophenyl)sulfanyl-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-5-(4-nitrophenyl)sulfanyl-N-propylcyclopentan-1-amine
PubChem CID79866350
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name2,2-dimethyl-5-(4-nitrophenyl)sulfanyl-N-propylcyclopentan-1-amine
SMILESCCCNC1C(Sc2ccc([N+](=O)[O-])cc2)CCC1(C)C
InChIInChI=1S/C16H24N2O2S/c1-4-11-17-15-14(9-10-16(15,2)3)21-13-7-5-12(6-8-13)18(19)20/h5-8,14-15,17H,4,9-11H2,1-3H3
InChIKeyKZSBZKLMQCALNP-UHFFFAOYSA-N
XLogP4.24
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2,2-dimethyl-5-(4-nitrophenyl)sulfanyl-N-propylcyclopentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3-bromophenyl)sulfanyl-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 79862668
2,2-dimethyl-5-(5-methylpyrimidin-2-yl)sulfanyl-N-propylcyclopentan-1-amine
CID 79862776
2,2-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylcyclopentan-1-amine
CID 79862564
2-[2-(4-nitrophenyl)sulfanylethyl]-N-propylcyclopentan-1-amine
CID 79576656
2,2-dimethyl-3-(4-nitrophenyl)-N-propylcyclobutan-1-amine
CID 81416896
1-methyl-4-(4-nitrophenyl)sulfanylpiperidine
CID 10800812
8-(4-nitrophenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739121
N-ethyl-2,2-dimethyl-5-pyrimidin-4-ylsulfanylcyclopentan-1-amine
CID 79862977
3-(4-nitrophenyl)sulfinyl-N-propylcyclopentan-1-amine
CID 64722049
2,2-diethyl-3-(4-nitrophenyl)cyclobutan-1-one
CID 81416538
6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine
CID 79841946
1-(cyclopropylmethylsulfanyl)-4-nitrobenzene
CID 68698105

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(4-nitrophenyl)sulfanyl-N-propylcyclopentan-1-amine?
The IUPAC name of 2,2-dimethyl-5-(4-nitrophenyl)sulfanyl-N-propylcyclopentan-1-amine (CID 79866350) is 2,2-dimethyl-5-(4-nitrophenyl)sulfanyl-N-propylcyclopentan-1-amine.
What is the SMILES notation for 2,2-dimethyl-5-(4-nitrophenyl)sulfanyl-N-propylcyclopentan-1-amine?
The canonical SMILES for 2,2-dimethyl-5-(4-nitrophenyl)sulfanyl-N-propylcyclopentan-1-amine is CCCNC1C(Sc2ccc([N+](=O)[O-])cc2)CCC1(C)C.
What is the InChIKey of 2,2-dimethyl-5-(4-nitrophenyl)sulfanyl-N-propylcyclopentan-1-amine?
The InChIKey is KZSBZKLMQCALNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-4-11-17-15-14(9-10-16(15,2)3)21-13-7-5-12(6-8-13)18(19)20/h5-8,14-15,17H,4,9-11H2,1-3H3.
What are the key properties of 2,2-dimethyl-5-(4-nitrophenyl)sulfanyl-N-propylcyclopentan-1-amine?
2,2-dimethyl-5-(4-nitrophenyl)sulfanyl-N-propylcyclopentan-1-amine has a molecular weight of 308.45 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(4-nitrophenyl)sulfanyl-N-propylcyclopentan-1-amine is sourced from PubChem (CID 79866350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).