1-(aminomethyl)-2-methylsulfonyl-N-(oxolan-2-ylmethyl)cyclopentan-1-amine

C12H24N2O3S — CID 65377356

IUPAC1-(aminomethyl)-2-methylsulfonyl-N-(oxolan-2-ylmethyl)cyclopentan-1-amine
SMILESCS(=O)(=O)C1CCCC1(CN)NCC1CCCO1
InChIInChI=1S/C12H24N2O3S/c1-18(15,16)11-5-2-6-12(11,9-13)14-8-10-4-3-7-17-10/h10-11,14H,2-9,13H2,1H3
InChIKeyMKCXRQUHCTVGNP-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.05
Rot. Bonds5

About 1-(aminomethyl)-2-methylsulfonyl-N-(oxolan-2-ylmethyl)cyclopentan-1-amine

1-(aminomethyl)-2-methylsulfonyl-N-(oxolan-2-ylmethyl)cyclopentan-1-amine (PubChem CID 65377356) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 1-(aminomethyl)-2-methylsulfonyl-N-(oxolan-2-ylmethyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-2-methylsulfonyl-N-(oxolan-2-ylmethyl)cyclopentan-1-amine
PubChem CID65377356
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name1-(aminomethyl)-2-methylsulfonyl-N-(oxolan-2-ylmethyl)cyclopentan-1-amine
SMILESCS(=O)(=O)C1CCCC1(CN)NCC1CCCO1
InChIInChI=1S/C12H24N2O3S/c1-18(15,16)11-5-2-6-12(11,9-13)14-8-10-4-3-7-17-10/h10-11,14H,2-9,13H2,1H3
InChIKeyMKCXRQUHCTVGNP-UHFFFAOYSA-N
XLogP0.05
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methylsulfonyl-1-(oxolan-2-ylmethylamino)cyclopentane-1-carbonitrile
CID 65045063
1-(aminomethyl)-N-(oxolan-2-ylmethyl)cyclopentan-1-amine
CID 65376736
1-(aminomethyl)-4,4-dimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 65377148
1-(aminomethyl)-3-(2-methylpropyl)-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 107429090
2-[(sulfamoylamino)methyl]oxolane
CID 68548773
2-[(1-methylsulfonylcyclopropyl)methyl]-1-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 120662757
4-(aminomethyl)-N-(oxolan-2-ylmethyl)-1-propan-2-ylpiperidin-4-amine
CID 65378603
3-(aminomethyl)-1,1-dioxo-N-(oxolan-2-ylmethyl)thian-3-amine
CID 65377567
9-methylsulfonyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 79504740
3-methyl-N-(oxolan-2-ylmethyl)pyrrolidin-3-amine
CID 107423630
3-(oxolan-2-ylmethylamino)azetidine-3-carboxylic acid
CID 132594065
N-[2-(oxolan-2-ylmethylamino)phenyl]methanesulfonamide
CID 82835843

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-2-methylsulfonyl-N-(oxolan-2-ylmethyl)cyclopentan-1-amine?
The IUPAC name of 1-(aminomethyl)-2-methylsulfonyl-N-(oxolan-2-ylmethyl)cyclopentan-1-amine (CID 65377356) is 1-(aminomethyl)-2-methylsulfonyl-N-(oxolan-2-ylmethyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-2-methylsulfonyl-N-(oxolan-2-ylmethyl)cyclopentan-1-amine?
The canonical SMILES for 1-(aminomethyl)-2-methylsulfonyl-N-(oxolan-2-ylmethyl)cyclopentan-1-amine is CS(=O)(=O)C1CCCC1(CN)NCC1CCCO1.
What is the InChIKey of 1-(aminomethyl)-2-methylsulfonyl-N-(oxolan-2-ylmethyl)cyclopentan-1-amine?
The InChIKey is MKCXRQUHCTVGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-18(15,16)11-5-2-6-12(11,9-13)14-8-10-4-3-7-17-10/h10-11,14H,2-9,13H2,1H3.
What are the key properties of 1-(aminomethyl)-2-methylsulfonyl-N-(oxolan-2-ylmethyl)cyclopentan-1-amine?
1-(aminomethyl)-2-methylsulfonyl-N-(oxolan-2-ylmethyl)cyclopentan-1-amine has a molecular weight of 276.40 g/mol, XLogP of 0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-2-methylsulfonyl-N-(oxolan-2-ylmethyl)cyclopentan-1-amine is sourced from PubChem (CID 65377356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).