N-(3-cyclopropylsulfonylpropyl)-3,3-dimethyl-2-propan-2-ylbutanamide

C15H29NO3S — CID 58124181

IUPACN-(3-cyclopropylsulfonylpropyl)-3,3-dimethyl-2-propan-2-ylbutanamide
SMILESCC(C)C(C(=O)NCCCS(=O)(=O)C1CC1)C(C)(C)C
InChIInChI=1S/C15H29NO3S/c1-11(2)13(15(3,4)5)14(17)16-9-6-10-20(18,19)12-7-8-12/h11-13H,6-10H2,1-5H3,(H,16,17)
InChIKeyXVRPHRRTLHJQAA-UHFFFAOYSA-N
MW303.47 g/mol
LogP2.39
Rot. Bonds7

About N-(3-cyclopropylsulfonylpropyl)-3,3-dimethyl-2-propan-2-ylbutanamide

N-(3-cyclopropylsulfonylpropyl)-3,3-dimethyl-2-propan-2-ylbutanamide (PubChem CID 58124181) has the molecular formula C15H29NO3S and a molecular weight of 303.47 g/mol. Its IUPAC name is N-(3-cyclopropylsulfonylpropyl)-3,3-dimethyl-2-propan-2-ylbutanamide.

Molecular Properties

Compound NameN-(3-cyclopropylsulfonylpropyl)-3,3-dimethyl-2-propan-2-ylbutanamide
PubChem CID58124181
Molecular FormulaC15H29NO3S
Molecular Weight303.47 g/mol
Exact Mass303.19
IUPAC NameN-(3-cyclopropylsulfonylpropyl)-3,3-dimethyl-2-propan-2-ylbutanamide
SMILESCC(C)C(C(=O)NCCCS(=O)(=O)C1CC1)C(C)(C)C
InChIInChI=1S/C15H29NO3S/c1-11(2)13(15(3,4)5)14(17)16-9-6-10-20(18,19)12-7-8-12/h11-13H,6-10H2,1-5H3,(H,16,17)
InChIKeyXVRPHRRTLHJQAA-UHFFFAOYSA-N
XLogP2.39
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Sodium 2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]ethanesulfonate
CID 23709648
1,1-dioxo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-4-(trifluoromethyl)thiolane-3-carboxamide
CID 126840781
N-[(1-ethylcyclobutyl)methyl]-3-methylsulfonylpropanamide
CID 131913293
(1R)-2,2-dimethyl-N-[(2S,3S)-2-methyl-1,1-dioxothiolan-3-yl]cyclopropane-1-carboxamide
CID 164634854
2,2,3,3-Tetramethylcyclopropanecarbonyl taurine
CID 10399818
N-ethyl-3-[(2-fluoro-2-methylcyclopropyl)methylsulfonyl]propanamide
CID 134298579
N-[(2R)-1-ethylsulfonylpropan-2-yl]cyclopropanecarboxamide
CID 166638056
1,1-dioxo-4-(trifluoromethyl)-N-[(1,2,2-trimethylcyclopropyl)methyl]thiolane-3-carboxamide
CID 166251447
N-[3-[ethylsulfonyl(methyl)amino]propyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 71866989
N-[(4-methyl-1,1-dioxothian-4-yl)methyl]-3-sulfanylpropanamide
CID 177681351
3,3-dimethyl-N-(2-methylsulfonylethyl)-2-propan-2-ylbutanamide
CID 58124147
3,3-dimethyl-2-propan-2-yl-N-(2-sulfamoylethyl)butanamide
CID 58124318

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropylsulfonylpropyl)-3,3-dimethyl-2-propan-2-ylbutanamide?
The IUPAC name of N-(3-cyclopropylsulfonylpropyl)-3,3-dimethyl-2-propan-2-ylbutanamide (CID 58124181) is N-(3-cyclopropylsulfonylpropyl)-3,3-dimethyl-2-propan-2-ylbutanamide.
What is the SMILES notation for N-(3-cyclopropylsulfonylpropyl)-3,3-dimethyl-2-propan-2-ylbutanamide?
The canonical SMILES for N-(3-cyclopropylsulfonylpropyl)-3,3-dimethyl-2-propan-2-ylbutanamide is CC(C)C(C(=O)NCCCS(=O)(=O)C1CC1)C(C)(C)C.
What is the InChIKey of N-(3-cyclopropylsulfonylpropyl)-3,3-dimethyl-2-propan-2-ylbutanamide?
The InChIKey is XVRPHRRTLHJQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3S/c1-11(2)13(15(3,4)5)14(17)16-9-6-10-20(18,19)12-7-8-12/h11-13H,6-10H2,1-5H3,(H,16,17).
What are the key properties of N-(3-cyclopropylsulfonylpropyl)-3,3-dimethyl-2-propan-2-ylbutanamide?
N-(3-cyclopropylsulfonylpropyl)-3,3-dimethyl-2-propan-2-ylbutanamide has a molecular weight of 303.47 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropylsulfonylpropyl)-3,3-dimethyl-2-propan-2-ylbutanamide is sourced from PubChem (CID 58124181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).