N-methyl-2-pyrimidin-2-ylsulfanylcyclododecan-1-amine

C17H29N3S — CID 64647674

IUPACN-methyl-2-pyrimidin-2-ylsulfanylcyclododecan-1-amine
SMILESCNC1CCCCCCCCCCC1Sc1ncccn1
InChIInChI=1S/C17H29N3S/c1-18-15-11-8-6-4-2-3-5-7-9-12-16(15)21-17-19-13-10-14-20-17/h10,13-16,18H,2-9,11-12H2,1H3
InChIKeyGSAUKJLNVFXHQF-UHFFFAOYSA-N
MW307.51 g/mol
LogP4.44
Rot. Bonds3

About N-methyl-2-pyrimidin-2-ylsulfanylcyclododecan-1-amine

N-methyl-2-pyrimidin-2-ylsulfanylcyclododecan-1-amine (PubChem CID 64647674) has the molecular formula C17H29N3S and a molecular weight of 307.51 g/mol. Its IUPAC name is N-methyl-2-pyrimidin-2-ylsulfanylcyclododecan-1-amine.

Molecular Properties

Compound NameN-methyl-2-pyrimidin-2-ylsulfanylcyclododecan-1-amine
PubChem CID64647674
Molecular FormulaC17H29N3S
Molecular Weight307.51 g/mol
Exact Mass307.21
IUPAC NameN-methyl-2-pyrimidin-2-ylsulfanylcyclododecan-1-amine
SMILESCNC1CCCCCCCCCCC1Sc1ncccn1
InChIInChI=1S/C17H29N3S/c1-18-15-11-8-6-4-2-3-5-7-9-12-16(15)21-17-19-13-10-14-20-17/h10,13-16,18H,2-9,11-12H2,1H3
InChIKeyGSAUKJLNVFXHQF-UHFFFAOYSA-N
XLogP4.44
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.51
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-2-pyrimidin-2-ylsulfanylcyclododecan-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

N-methyl-2-phenylsulfanylcyclododecan-1-amine
CID 64619988
2-(2-fluorophenyl)sulfanyl-N-methylcycloheptan-1-amine
CID 64621640
2-[(1S,2R)-2-prop-2-enylcyclohexyl]sulfanylpyrimidine
CID 162202257
N-methyl-2-naphthalen-2-ylsulfanylcyclohexan-1-amine
CID 64648280
2-(2,4-dimethylphenyl)sulfanyl-N-methylcyclooctan-1-amine
CID 64620313
N-methyl-2-(1-methyltetrazol-5-yl)sulfanylcyclooctan-1-amine
CID 64620986
2-(2,5-difluorophenyl)sulfanyl-N-methylcyclooctan-1-amine
CID 64648291
2-(2,4-difluorophenyl)sulfanyl-N-methylcyclooctan-1-amine
CID 64613286
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methylcycloheptan-1-amine
CID 64647886
2-(2,5-difluorophenyl)sulfanyl-N-methylcycloheptan-1-amine
CID 64649448
2-[(1S,2R)-2-prop-2-enylcyclopentyl]sulfanylpyrimidine
CID 157250129
N-ethyl-2-pyridin-2-ylsulfanylcyclohexan-1-amine
CID 64649496

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-pyrimidin-2-ylsulfanylcyclododecan-1-amine?
The IUPAC name of N-methyl-2-pyrimidin-2-ylsulfanylcyclododecan-1-amine (CID 64647674) is N-methyl-2-pyrimidin-2-ylsulfanylcyclododecan-1-amine.
What is the SMILES notation for N-methyl-2-pyrimidin-2-ylsulfanylcyclododecan-1-amine?
The canonical SMILES for N-methyl-2-pyrimidin-2-ylsulfanylcyclododecan-1-amine is CNC1CCCCCCCCCCC1Sc1ncccn1.
What is the InChIKey of N-methyl-2-pyrimidin-2-ylsulfanylcyclododecan-1-amine?
The InChIKey is GSAUKJLNVFXHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3S/c1-18-15-11-8-6-4-2-3-5-7-9-12-16(15)21-17-19-13-10-14-20-17/h10,13-16,18H,2-9,11-12H2,1H3.
What are the key properties of N-methyl-2-pyrimidin-2-ylsulfanylcyclododecan-1-amine?
N-methyl-2-pyrimidin-2-ylsulfanylcyclododecan-1-amine has a molecular weight of 307.51 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-pyrimidin-2-ylsulfanylcyclododecan-1-amine is sourced from PubChem (CID 64647674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).