2-(propan-2-ylamino)-N-(3-propoxypropyl)ethanesulfonamide

C11H26N2O3S — CID 82943401

IUPAC2-(propan-2-ylamino)-N-(3-propoxypropyl)ethanesulfonamide
SMILESCCCOCCCNS(=O)(=O)CCNC(C)C
InChIInChI=1S/C11H26N2O3S/c1-4-8-16-9-5-6-13-17(14,15)10-7-12-11(2)3/h11-13H,4-10H2,1-3H3
InChIKeyGMXMKRCUAUJOOZ-UHFFFAOYSA-N
MW266.41 g/mol
LogP0.72
Rot. Bonds11

About 2-(propan-2-ylamino)-N-(3-propoxypropyl)ethanesulfonamide

2-(propan-2-ylamino)-N-(3-propoxypropyl)ethanesulfonamide (PubChem CID 82943401) has the molecular formula C11H26N2O3S and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-N-(3-propoxypropyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(propan-2-ylamino)-N-(3-propoxypropyl)ethanesulfonamide
PubChem CID82943401
Molecular FormulaC11H26N2O3S
Molecular Weight266.41 g/mol
Exact Mass266.17
IUPAC Name2-(propan-2-ylamino)-N-(3-propoxypropyl)ethanesulfonamide
SMILESCCCOCCCNS(=O)(=O)CCNC(C)C
InChIInChI=1S/C11H26N2O3S/c1-4-8-16-9-5-6-13-17(14,15)10-7-12-11(2)3/h11-13H,4-10H2,1-3H3
InChIKeyGMXMKRCUAUJOOZ-UHFFFAOYSA-N
XLogP0.72
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 50.72
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-butoxypropyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106080388
N-(3-propoxypropyl)-2-(propylamino)ethanesulfonamide
CID 106074238
2-amino-N-(3-propoxypropyl)ethanesulfonamide
CID 82940128
2-ethoxy-N-[2-(propan-2-ylamino)ethyl]ethanesulfonamide
CID 63246255
N-(3-butoxypropyl)-4-hydroxybutane-1-sulfonamide
CID 114135466
N-[2-(3-methylbutoxy)ethyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106018612
N-(5-methoxypentyl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 114131476
N-(3-butoxypropyl)-4-(ethylamino)butane-1-sulfonamide
CID 106080386
N-(2-methoxy-2-methylpropyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 104762864
N-[2-(2-methylpropoxy)ethyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106085310
5-[(propan-2-ylamino)methyl]-N-(3-propoxypropyl)furan-2-sulfonamide
CID 82940349
2-chloro-N-[3-(2-methylpropoxy)propyl]ethanesulfonamide
CID 107651702

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)-N-(3-propoxypropyl)ethanesulfonamide?
The IUPAC name of 2-(propan-2-ylamino)-N-(3-propoxypropyl)ethanesulfonamide (CID 82943401) is 2-(propan-2-ylamino)-N-(3-propoxypropyl)ethanesulfonamide.
What is the SMILES notation for 2-(propan-2-ylamino)-N-(3-propoxypropyl)ethanesulfonamide?
The canonical SMILES for 2-(propan-2-ylamino)-N-(3-propoxypropyl)ethanesulfonamide is CCCOCCCNS(=O)(=O)CCNC(C)C.
What is the InChIKey of 2-(propan-2-ylamino)-N-(3-propoxypropyl)ethanesulfonamide?
The InChIKey is GMXMKRCUAUJOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O3S/c1-4-8-16-9-5-6-13-17(14,15)10-7-12-11(2)3/h11-13H,4-10H2,1-3H3.
What are the key properties of 2-(propan-2-ylamino)-N-(3-propoxypropyl)ethanesulfonamide?
2-(propan-2-ylamino)-N-(3-propoxypropyl)ethanesulfonamide has a molecular weight of 266.41 g/mol, XLogP of 0.72, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)-N-(3-propoxypropyl)ethanesulfonamide is sourced from PubChem (CID 82943401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).