(2R)-N,N-dimethyl-2-[(2-methylsulfanylcyclohexyl)amino]propanamide

C12H24N2OS — CID 103902988

IUPAC(2R)-N,N-dimethyl-2-[(2-methylsulfanylcyclohexyl)amino]propanamide
SMILESCSC1CCCCC1N[C@H](C)C(=O)N(C)C
InChIInChI=1S/C12H24N2OS/c1-9(12(15)14(2)3)13-10-7-5-6-8-11(10)16-4/h9-11,13H,5-8H2,1-4H3/t9-,10?,11?/m1/s1
InChIKeyCCEVWRYCPCFUJX-KPPDAEKUSA-N
MW244.40 g/mol
LogP1.73
Rot. Bonds4

About (2R)-N,N-dimethyl-2-[(2-methylsulfanylcyclohexyl)amino]propanamide

(2R)-N,N-dimethyl-2-[(2-methylsulfanylcyclohexyl)amino]propanamide (PubChem CID 103902988) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is (2R)-N,N-dimethyl-2-[(2-methylsulfanylcyclohexyl)amino]propanamide.

Molecular Properties

Compound Name(2R)-N,N-dimethyl-2-[(2-methylsulfanylcyclohexyl)amino]propanamide
PubChem CID103902988
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC Name(2R)-N,N-dimethyl-2-[(2-methylsulfanylcyclohexyl)amino]propanamide
SMILESCSC1CCCCC1N[C@H](C)C(=O)N(C)C
InChIInChI=1S/C12H24N2OS/c1-9(12(15)14(2)3)13-10-7-5-6-8-11(10)16-4/h9-11,13H,5-8H2,1-4H3/t9-,10?,11?/m1/s1
InChIKeyCCEVWRYCPCFUJX-KPPDAEKUSA-N
XLogP1.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2-[(2-methylsulfanylcyclohexyl)amino]propanamide
CID 113260733
2-[(2-hydroxycyclohexyl)amino]-N,N-dimethylpropanamide
CID 61464464
2-[(2-ethylcyclohexyl)amino]-N,N-dimethylpropanamide
CID 61467050
2-[(2,3-dimethylcyclohexyl)amino]-N,N-dimethylpropanamide
CID 43085502
2-[(2-methylsulfanylcyclohexyl)amino]-N-phenylpropanamide
CID 103902064
N-[(1R,2R)-2-methylsulfanylcyclooctyl]acetamide
CID 131884719
(2S)-2-amino-N-(2-methylsulfanylcyclopentyl)propanamide
CID 103797253
N,N-dimethyl-2-[(4-propan-2-ylcyclohexyl)amino]propanamide
CID 55106384
(2R)-N,N-dimethyl-2-[(4-methylcyclohexyl)amino]propanamide
CID 92666114
(2S)-2-[[(1S,2R)-2-(hydroxymethyl)cyclohexyl]amino]-N-methyl-N-propan-2-ylpropanamide
CID 129435663
(2S)-2-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]-N-methyl-N-propan-2-ylpropanamide
CID 99609371
3-amino-N-(2-methylsulfanylcyclohexyl)butanamide
CID 103812043

Frequently Asked Questions

What is the IUPAC name of (2R)-N,N-dimethyl-2-[(2-methylsulfanylcyclohexyl)amino]propanamide?
The IUPAC name of (2R)-N,N-dimethyl-2-[(2-methylsulfanylcyclohexyl)amino]propanamide (CID 103902988) is (2R)-N,N-dimethyl-2-[(2-methylsulfanylcyclohexyl)amino]propanamide.
What is the SMILES notation for (2R)-N,N-dimethyl-2-[(2-methylsulfanylcyclohexyl)amino]propanamide?
The canonical SMILES for (2R)-N,N-dimethyl-2-[(2-methylsulfanylcyclohexyl)amino]propanamide is CSC1CCCCC1N[C@H](C)C(=O)N(C)C.
What is the InChIKey of (2R)-N,N-dimethyl-2-[(2-methylsulfanylcyclohexyl)amino]propanamide?
The InChIKey is CCEVWRYCPCFUJX-KPPDAEKUSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-9(12(15)14(2)3)13-10-7-5-6-8-11(10)16-4/h9-11,13H,5-8H2,1-4H3/t9-,10?,11?/m1/s1.
What are the key properties of (2R)-N,N-dimethyl-2-[(2-methylsulfanylcyclohexyl)amino]propanamide?
(2R)-N,N-dimethyl-2-[(2-methylsulfanylcyclohexyl)amino]propanamide has a molecular weight of 244.40 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,N-dimethyl-2-[(2-methylsulfanylcyclohexyl)amino]propanamide is sourced from PubChem (CID 103902988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).