N-(3-aminopropyl)-N-cyclopentylbutane-1-sulfonamide

C12H26N2O2S — CID 43137012

IUPACN-(3-aminopropyl)-N-cyclopentylbutane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(CCCN)C1CCCC1
InChIInChI=1S/C12H26N2O2S/c1-2-3-11-17(15,16)14(10-6-9-13)12-7-4-5-8-12/h12H,2-11,13H2,1H3
InChIKeyIVQPLJAQAYNBFA-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.71
Rot. Bonds8

About N-(3-aminopropyl)-N-cyclopentylbutane-1-sulfonamide

N-(3-aminopropyl)-N-cyclopentylbutane-1-sulfonamide (PubChem CID 43137012) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-cyclopentylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-cyclopentylbutane-1-sulfonamide
PubChem CID43137012
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC NameN-(3-aminopropyl)-N-cyclopentylbutane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(CCCN)C1CCCC1
InChIInChI=1S/C12H26N2O2S/c1-2-3-11-17(15,16)14(10-6-9-13)12-7-4-5-8-12/h12H,2-11,13H2,1H3
InChIKeyIVQPLJAQAYNBFA-UHFFFAOYSA-N
XLogP1.71
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 61546212
CID 61546212
CID 91989245
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CID 24697963
CID 24697963
CID 50980466
CID 50980466
CID 64479327
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CID 95322394
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CID 97811485
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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-cyclopentylbutane-1-sulfonamide?
The IUPAC name of N-(3-aminopropyl)-N-cyclopentylbutane-1-sulfonamide (CID 43137012) is N-(3-aminopropyl)-N-cyclopentylbutane-1-sulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-N-cyclopentylbutane-1-sulfonamide?
The canonical SMILES for N-(3-aminopropyl)-N-cyclopentylbutane-1-sulfonamide is CCCCS(=O)(=O)N(CCCN)C1CCCC1.
What is the InChIKey of N-(3-aminopropyl)-N-cyclopentylbutane-1-sulfonamide?
The InChIKey is IVQPLJAQAYNBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-2-3-11-17(15,16)14(10-6-9-13)12-7-4-5-8-12/h12H,2-11,13H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-cyclopentylbutane-1-sulfonamide?
N-(3-aminopropyl)-N-cyclopentylbutane-1-sulfonamide has a molecular weight of 262.42 g/mol, XLogP of 1.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-cyclopentylbutane-1-sulfonamide is sourced from PubChem (CID 43137012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).