N-(3-aminopropyl)-1-cyclopropylmethanesulfonamide

C7H16N2O2S — CID 64990338

IUPACN-(3-aminopropyl)-1-cyclopropylmethanesulfonamide
SMILESNCCCNS(=O)(=O)CC1CC1
InChIInChI=1S/C7H16N2O2S/c8-4-1-5-9-12(10,11)6-7-2-3-7/h7,9H,1-6,8H2
InChIKeyHKIMIPMQWDAZLF-UHFFFAOYSA-N
MW192.28 g/mol
LogP-0.34
Rot. Bonds6

About N-(3-aminopropyl)-1-cyclopropylmethanesulfonamide

N-(3-aminopropyl)-1-cyclopropylmethanesulfonamide (PubChem CID 64990338) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is N-(3-aminopropyl)-1-cyclopropylmethanesulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-1-cyclopropylmethanesulfonamide
PubChem CID64990338
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC NameN-(3-aminopropyl)-1-cyclopropylmethanesulfonamide
SMILESNCCCNS(=O)(=O)CC1CC1
InChIInChI=1S/C7H16N2O2S/c8-4-1-5-9-12(10,11)6-7-2-3-7/h7,9H,1-6,8H2
InChIKeyHKIMIPMQWDAZLF-UHFFFAOYSA-N
XLogP-0.34
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-aminobutyl)-1-cyclopropylmethanesulfonamide;hydrochloride
CID 120583339
N-[2-(2-aminoethoxy)ethyl]-1-cyclopropylmethanesulfonamide
CID 64989285
N-(6-bromohexyl)-1-cyclopropylmethanesulfonamide
CID 107848846
ethyl 4-(cyclopropylmethylsulfonylamino)butanoate
CID 64988986
N-(4-aminobutyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63246284
3-amino-N-(cyclopropylmethyl)propane-1-sulfonamide
CID 60909819
N-(3-aminopropyl)cyclopentanesulfonamide
CID 115752131
methyl 3-(cyclopropylmethylsulfonylamino)propanoate
CID 64989493
N-[3-(dimethylamino)propyl]-1-piperidin-4-ylmethanesulfonamide
CID 54974104
N-(4-aminobutan-2-yl)-1-cyclopropylmethanesulfonamide
CID 64990284
1-cyclopropyl-N-(2,2-dimethoxyethyl)methanesulfonamide
CID 64987276
1-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)methanesulfonamide
CID 62989954

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-1-cyclopropylmethanesulfonamide?
The IUPAC name of N-(3-aminopropyl)-1-cyclopropylmethanesulfonamide (CID 64990338) is N-(3-aminopropyl)-1-cyclopropylmethanesulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-1-cyclopropylmethanesulfonamide?
The canonical SMILES for N-(3-aminopropyl)-1-cyclopropylmethanesulfonamide is NCCCNS(=O)(=O)CC1CC1.
What is the InChIKey of N-(3-aminopropyl)-1-cyclopropylmethanesulfonamide?
The InChIKey is HKIMIPMQWDAZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S/c8-4-1-5-9-12(10,11)6-7-2-3-7/h7,9H,1-6,8H2.
What are the key properties of N-(3-aminopropyl)-1-cyclopropylmethanesulfonamide?
N-(3-aminopropyl)-1-cyclopropylmethanesulfonamide has a molecular weight of 192.28 g/mol, XLogP of -0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-1-cyclopropylmethanesulfonamide is sourced from PubChem (CID 64990338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).