N'-(2-methylsulfonylcyclopentyl)propane-1,3-diamine

C9H20N2O2S — CID 65044398

IUPACN'-(2-methylsulfonylcyclopentyl)propane-1,3-diamine
SMILESCS(=O)(=O)C1CCCC1NCCCN
InChIInChI=1S/C9H20N2O2S/c1-14(12,13)9-5-2-4-8(9)11-7-3-6-10/h8-9,11H,2-7,10H2,1H3
InChIKeyYUQFQIAIGOGNIB-UHFFFAOYSA-N
MW220.34 g/mol
LogP-0.11
Rot. Bonds5

About N'-(2-methylsulfonylcyclopentyl)propane-1,3-diamine

N'-(2-methylsulfonylcyclopentyl)propane-1,3-diamine (PubChem CID 65044398) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is N'-(2-methylsulfonylcyclopentyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-methylsulfonylcyclopentyl)propane-1,3-diamine
PubChem CID65044398
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC NameN'-(2-methylsulfonylcyclopentyl)propane-1,3-diamine
SMILESCS(=O)(=O)C1CCCC1NCCCN
InChIInChI=1S/C9H20N2O2S/c1-14(12,13)9-5-2-4-8(9)11-7-3-6-10/h8-9,11H,2-7,10H2,1H3
InChIKeyYUQFQIAIGOGNIB-UHFFFAOYSA-N
XLogP-0.11
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-cyclopropylpropyl)-2-methylsulfonylcyclopentan-1-amine
CID 115901335
2-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)cyclopentan-1-amine
CID 65046605
N-[3-(2-methoxyethoxy)propyl]-2-methylsulfonylcyclopentan-1-amine
CID 65046821
N-(2-cyclopentylethyl)-2-methylsulfonylcyclopentan-1-amine
CID 65044497
N-[4-(2-methoxyethoxy)butyl]-2-methylsulfonylcyclopentan-1-amine
CID 115900911
N-(3-ethenoxypropyl)-2-methylsulfonylcyclopentan-1-amine
CID 65046875
1-N,3-N-bis(3-aminopropyl)-2-methylcyclohexane-1,3-diamine
CID 134587942
2-methylsulfonyl-N-[(E)-pent-3-enyl]cyclopentan-1-amine
CID 115901310
N-(cyclopropylmethyl)-2-methylsulfonylcyclopentan-1-amine
CID 65046998
2-[(2-methylsulfonylcyclopentyl)amino]acetamide
CID 65046579
2-methylsulfonyl-N-(2-piperidin-1-ylethyl)cyclopentan-1-amine
CID 65045793
N-[3-(3,5-difluorophenyl)propyl]-2-methylsulfonylcyclopentan-1-amine
CID 84599082

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylsulfonylcyclopentyl)propane-1,3-diamine?
The IUPAC name of N'-(2-methylsulfonylcyclopentyl)propane-1,3-diamine (CID 65044398) is N'-(2-methylsulfonylcyclopentyl)propane-1,3-diamine.
What is the SMILES notation for N'-(2-methylsulfonylcyclopentyl)propane-1,3-diamine?
The canonical SMILES for N'-(2-methylsulfonylcyclopentyl)propane-1,3-diamine is CS(=O)(=O)C1CCCC1NCCCN.
What is the InChIKey of N'-(2-methylsulfonylcyclopentyl)propane-1,3-diamine?
The InChIKey is YUQFQIAIGOGNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-14(12,13)9-5-2-4-8(9)11-7-3-6-10/h8-9,11H,2-7,10H2,1H3.
What are the key properties of N'-(2-methylsulfonylcyclopentyl)propane-1,3-diamine?
N'-(2-methylsulfonylcyclopentyl)propane-1,3-diamine has a molecular weight of 220.34 g/mol, XLogP of -0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylsulfonylcyclopentyl)propane-1,3-diamine is sourced from PubChem (CID 65044398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).