1-(aminomethyl)-N-methyl-2-methylsulfonyl-N-propan-2-ylcyclopentan-1-amine

C11H24N2O2S — CID 65045921

IUPAC1-(aminomethyl)-N-methyl-2-methylsulfonyl-N-propan-2-ylcyclopentan-1-amine
SMILESCC(C)N(C)C1(CN)CCCC1S(C)(=O)=O
InChIInChI=1S/C11H24N2O2S/c1-9(2)13(3)11(8-12)7-5-6-10(11)16(4,14)15/h9-10H,5-8,12H2,1-4H3
InChIKeyGYTCPZQACOJAPZ-UHFFFAOYSA-N
MW248.39 g/mol
LogP0.62
Rot. Bonds4

About 1-(aminomethyl)-N-methyl-2-methylsulfonyl-N-propan-2-ylcyclopentan-1-amine

1-(aminomethyl)-N-methyl-2-methylsulfonyl-N-propan-2-ylcyclopentan-1-amine (PubChem CID 65045921) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 1-(aminomethyl)-N-methyl-2-methylsulfonyl-N-propan-2-ylcyclopentan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-methyl-2-methylsulfonyl-N-propan-2-ylcyclopentan-1-amine
PubChem CID65045921
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name1-(aminomethyl)-N-methyl-2-methylsulfonyl-N-propan-2-ylcyclopentan-1-amine
SMILESCC(C)N(C)C1(CN)CCCC1S(C)(=O)=O
InChIInChI=1S/C11H24N2O2S/c1-9(2)13(3)11(8-12)7-5-6-10(11)16(4,14)15/h9-10H,5-8,12H2,1-4H3
InChIKeyGYTCPZQACOJAPZ-UHFFFAOYSA-N
XLogP0.62
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-methylsulfonylcyclopentan-1-amine
CID 112658395
N-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]-N-methylcycloheptanamine
CID 65045669
1-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-2-methylsulfonylcyclopentan-1-amine
CID 65045428
1-(aminomethyl)-N-(2-methoxyethyl)-2-methylsulfonyl-N-pentan-3-ylcyclopentan-1-amine
CID 65044943
N-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]-N-ethyl-4-methylaniline
CID 65044946
1-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]-2-methylsulfonylcyclopentan-1-amine
CID 65046188
1-(aminomethyl)-2-methylsulfonylcyclopentan-1-amine
CID 65045771
1-(2-aminoethyl)-2-methylsulfonylcyclopentan-1-ol
CID 79125934
N-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]-N-ethyl-3-methylaniline
CID 65045983
1-(1-aminobutan-2-yl)-2-methylsulfonylcyclopentan-1-ol
CID 79123466
1-(aminomethyl)-N-butan-2-yl-N,2-dimethylcyclopentan-1-amine
CID 65045613
1-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N,2-dimethylcyclopentan-1-amine
CID 65045048

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-methyl-2-methylsulfonyl-N-propan-2-ylcyclopentan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-methyl-2-methylsulfonyl-N-propan-2-ylcyclopentan-1-amine (CID 65045921) is 1-(aminomethyl)-N-methyl-2-methylsulfonyl-N-propan-2-ylcyclopentan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-methyl-2-methylsulfonyl-N-propan-2-ylcyclopentan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-methyl-2-methylsulfonyl-N-propan-2-ylcyclopentan-1-amine is CC(C)N(C)C1(CN)CCCC1S(C)(=O)=O.
What is the InChIKey of 1-(aminomethyl)-N-methyl-2-methylsulfonyl-N-propan-2-ylcyclopentan-1-amine?
The InChIKey is GYTCPZQACOJAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-9(2)13(3)11(8-12)7-5-6-10(11)16(4,14)15/h9-10H,5-8,12H2,1-4H3.
What are the key properties of 1-(aminomethyl)-N-methyl-2-methylsulfonyl-N-propan-2-ylcyclopentan-1-amine?
1-(aminomethyl)-N-methyl-2-methylsulfonyl-N-propan-2-ylcyclopentan-1-amine has a molecular weight of 248.39 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-methyl-2-methylsulfonyl-N-propan-2-ylcyclopentan-1-amine is sourced from PubChem (CID 65045921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).