1-[3-[ethyl(methylsulfonyl)amino]propyl]-3-propan-2-ylurea

C10H23N3O3S — CID 47062460

IUPAC1-[3-[ethyl(methylsulfonyl)amino]propyl]-3-propan-2-ylurea
SMILESCCN(CCCNC(=O)NC(C)C)S(C)(=O)=O
InChIInChI=1S/C10H23N3O3S/c1-5-13(17(4,15)16)8-6-7-11-10(14)12-9(2)3/h9H,5-8H2,1-4H3,(H2,11,12,14)
InChIKeyDNWZVOHIZSPWCU-UHFFFAOYSA-N
MW265.38 g/mol
LogP0.37
Rot. Bonds7

About 1-[3-[ethyl(methylsulfonyl)amino]propyl]-3-propan-2-ylurea

1-[3-[ethyl(methylsulfonyl)amino]propyl]-3-propan-2-ylurea (PubChem CID 47062460) has the molecular formula C10H23N3O3S and a molecular weight of 265.38 g/mol. Its IUPAC name is 1-[3-[ethyl(methylsulfonyl)amino]propyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[3-[ethyl(methylsulfonyl)amino]propyl]-3-propan-2-ylurea
PubChem CID47062460
Molecular FormulaC10H23N3O3S
Molecular Weight265.38 g/mol
Exact Mass265.15
IUPAC Name1-[3-[ethyl(methylsulfonyl)amino]propyl]-3-propan-2-ylurea
SMILESCCN(CCCNC(=O)NC(C)C)S(C)(=O)=O
InChIInChI=1S/C10H23N3O3S/c1-5-13(17(4,15)16)8-6-7-11-10(14)12-9(2)3/h9H,5-8H2,1-4H3,(H2,11,12,14)
InChIKeyDNWZVOHIZSPWCU-UHFFFAOYSA-N
XLogP0.37
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 50.37
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

1-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]-3-propan-2-ylurea
CID 113065279
N-butyl-2-[3-[ethyl(methylsulfonyl)amino]propylamino]propanamide
CID 61013916
N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2-dimethylpropanamide
CID 61150790
N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2,2-trifluoroacetamide
CID 62727869
1-(4-hydroxybutyl)-3-propan-2-ylurea
CID 106843864
tert-butyl N-[3-[ethyl(methylsulfonyl)amino]propyl]carbamate
CID 63788881
2-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylpropanamide;hydrochloride
CID 119299946
1-hexyl-3-propan-2-ylurea
CID 23264656
1-ethyl-3-[3-[ethyl(methylsulfonyl)amino]propyl]-2-(2-methylpropyl)guanidine
CID 111180349
1-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]-3-propan-2-ylurea
CID 113065754
(2S,4S)-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylpiperidine-4-carboxamide
CID 120624764
N-[3-(1-cyclopentylethylamino)propyl]-N-ethylmethanesulfonamide
CID 62632830

Frequently Asked Questions

What is the IUPAC name of 1-[3-[ethyl(methylsulfonyl)amino]propyl]-3-propan-2-ylurea?
The IUPAC name of 1-[3-[ethyl(methylsulfonyl)amino]propyl]-3-propan-2-ylurea (CID 47062460) is 1-[3-[ethyl(methylsulfonyl)amino]propyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[3-[ethyl(methylsulfonyl)amino]propyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[3-[ethyl(methylsulfonyl)amino]propyl]-3-propan-2-ylurea is CCN(CCCNC(=O)NC(C)C)S(C)(=O)=O.
What is the InChIKey of 1-[3-[ethyl(methylsulfonyl)amino]propyl]-3-propan-2-ylurea?
The InChIKey is DNWZVOHIZSPWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O3S/c1-5-13(17(4,15)16)8-6-7-11-10(14)12-9(2)3/h9H,5-8H2,1-4H3,(H2,11,12,14).
What are the key properties of 1-[3-[ethyl(methylsulfonyl)amino]propyl]-3-propan-2-ylurea?
1-[3-[ethyl(methylsulfonyl)amino]propyl]-3-propan-2-ylurea has a molecular weight of 265.38 g/mol, XLogP of 0.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[ethyl(methylsulfonyl)amino]propyl]-3-propan-2-ylurea is sourced from PubChem (CID 47062460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).