1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-methylsulfonylcyclopentan-1-amine

C13H28N2O2S2 — CID 112658395

IUPAC1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-methylsulfonylcyclopentan-1-amine
SMILESCCC(CSC)N(C)C1(CN)CCCC1S(C)(=O)=O
InChIInChI=1S/C13H28N2O2S2/c1-5-11(9-18-3)15(2)13(10-14)8-6-7-12(13)19(4,16)17/h11-12H,5-10,14H2,1-4H3
InChIKeyMCGOLFKFYSZQFG-UHFFFAOYSA-N
MW308.51 g/mol
LogP1.35
Rot. Bonds7

About 1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-methylsulfonylcyclopentan-1-amine

1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-methylsulfonylcyclopentan-1-amine (PubChem CID 112658395) has the molecular formula C13H28N2O2S2 and a molecular weight of 308.51 g/mol. Its IUPAC name is 1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-methylsulfonylcyclopentan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-methylsulfonylcyclopentan-1-amine
PubChem CID112658395
Molecular FormulaC13H28N2O2S2
Molecular Weight308.51 g/mol
Exact Mass308.16
IUPAC Name1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-methylsulfonylcyclopentan-1-amine
SMILESCCC(CSC)N(C)C1(CN)CCCC1S(C)(=O)=O
InChIInChI=1S/C13H28N2O2S2/c1-5-11(9-18-3)15(2)13(10-14)8-6-7-12(13)19(4,16)17/h11-12H,5-10,14H2,1-4H3
InChIKeyMCGOLFKFYSZQFG-UHFFFAOYSA-N
XLogP1.35
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.51
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(aminomethyl)-N-methyl-2-methylsulfonyl-N-propan-2-ylcyclopentan-1-amine
CID 65045921
1-(aminomethyl)-N-(2-methoxyethyl)-2-methylsulfonyl-N-pentan-3-ylcyclopentan-1-amine
CID 65044943
1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-propan-2-ylcyclohexan-1-amine
CID 112658500
1-(aminomethyl)-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)cyclohexan-1-amine
CID 112658341
N-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]-N-methylcycloheptanamine
CID 65045669
1-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-2-methylsulfonylcyclopentan-1-amine
CID 65045428
1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-propan-2-ylcycloheptan-1-amine
CID 115985690
N-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]-N-ethyl-4-methylaniline
CID 65044946
1-(1-aminobutan-2-yl)-2-methylsulfonylcyclopentan-1-ol
CID 79123466
N-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]-N-ethyl-3-methylaniline
CID 65045983
1-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]-2-methylsulfonylcyclopentan-1-amine
CID 65046188
1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 115985663

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-methylsulfonylcyclopentan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-methylsulfonylcyclopentan-1-amine (CID 112658395) is 1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-methylsulfonylcyclopentan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-methylsulfonylcyclopentan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-methylsulfonylcyclopentan-1-amine is CCC(CSC)N(C)C1(CN)CCCC1S(C)(=O)=O.
What is the InChIKey of 1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-methylsulfonylcyclopentan-1-amine?
The InChIKey is MCGOLFKFYSZQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S2/c1-5-11(9-18-3)15(2)13(10-14)8-6-7-12(13)19(4,16)17/h11-12H,5-10,14H2,1-4H3.
What are the key properties of 1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-methylsulfonylcyclopentan-1-amine?
1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-methylsulfonylcyclopentan-1-amine has a molecular weight of 308.51 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-methylsulfonylcyclopentan-1-amine is sourced from PubChem (CID 112658395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).