[[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]sulfamoyl-methylamino]cyclopropane

C13H29N3O2S — CID 58826078

IUPAC[[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]sulfamoyl-methylamino]cyclopropane
SMILESCC(C)N[C@H](CNS(=O)(=O)N(C)C1CC1)C(C)(C)C
InChIInChI=1S/C13H29N3O2S/c1-10(2)15-12(13(3,4)5)9-14-19(17,18)16(6)11-7-8-11/h10-12,14-15H,7-9H2,1-6H3/t12-/m1/s1
InChIKeyNROMGNUPGUZBTR-GFCCVEGCSA-N
MW291.46 g/mol
LogP1.33
Rot. Bonds7

About [[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]sulfamoyl-methylamino]cyclopropane

[[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]sulfamoyl-methylamino]cyclopropane (PubChem CID 58826078) has the molecular formula C13H29N3O2S and a molecular weight of 291.46 g/mol. Its IUPAC name is [[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]sulfamoyl-methylamino]cyclopropane.

Molecular Properties

Compound Name[[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]sulfamoyl-methylamino]cyclopropane
PubChem CID58826078
Molecular FormulaC13H29N3O2S
Molecular Weight291.46 g/mol
Exact Mass291.20
IUPAC Name[[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]sulfamoyl-methylamino]cyclopropane
SMILESCC(C)N[C@H](CNS(=O)(=O)N(C)C1CC1)C(C)(C)C
InChIInChI=1S/C13H29N3O2S/c1-10(2)15-12(13(3,4)5)9-14-19(17,18)16(6)11-7-8-11/h10-12,14-15H,7-9H2,1-6H3/t12-/m1/s1
InChIKeyNROMGNUPGUZBTR-GFCCVEGCSA-N
XLogP1.33
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-tert-butyl-N,N-dimethylpiperazin-1-ium-1-sulfonamide chloride
CID 57223070
(2S)-1-(1,1-dioxo-5-propan-2-yl-1,2,5-thiadiazolidin-2-yl)-3,3-dimethylbutan-2-amine
CID 58799878
(2S)-1-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-3,3-dimethylbutan-2-amine
CID 58799931
(2S)-1-N-(dimethylsulfamoyl)-1-N,3,3-trimethylbutane-1,2-diamine
CID 58821412
N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]-N-methylazetidine-1-sulfonamide
CID 58821413
N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]-N-methylcyclopropanesulfonamide
CID 58821461
(2S)-1-(dimethylsulfamoylamino)-3,3-dimethyl-2-(propan-2-ylamino)butane
CID 58821505
N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]-N-ethylmethanesulfonamide
CID 58821535
N-(cyclopropylmethyl)-N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]methanesulfonamide
CID 58821541
(2S)-1-N-[cyclopropyl(methyl)sulfamoyl]-1-N,3,3-trimethyl-2-N-propan-2-ylbutane-1,2-diamine
CID 58821546
(2S)-1-N-(dimethylsulfamoyl)-1-N,3-dimethyl-2-N-propan-2-ylbutane-1,2-diamine
CID 58821550
(2S)-1-N-(dimethylsulfamoyl)-1-N,3,3-trimethyl-2-N-propan-2-ylbutane-1,2-diamine
CID 58821561

Frequently Asked Questions

What is the IUPAC name of [[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]sulfamoyl-methylamino]cyclopropane?
The IUPAC name of [[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]sulfamoyl-methylamino]cyclopropane (CID 58826078) is [[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]sulfamoyl-methylamino]cyclopropane.
What is the SMILES notation for [[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]sulfamoyl-methylamino]cyclopropane?
The canonical SMILES for [[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]sulfamoyl-methylamino]cyclopropane is CC(C)N[C@H](CNS(=O)(=O)N(C)C1CC1)C(C)(C)C.
What is the InChIKey of [[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]sulfamoyl-methylamino]cyclopropane?
The InChIKey is NROMGNUPGUZBTR-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H29N3O2S/c1-10(2)15-12(13(3,4)5)9-14-19(17,18)16(6)11-7-8-11/h10-12,14-15H,7-9H2,1-6H3/t12-/m1/s1.
What are the key properties of [[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]sulfamoyl-methylamino]cyclopropane?
[[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]sulfamoyl-methylamino]cyclopropane has a molecular weight of 291.46 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]sulfamoyl-methylamino]cyclopropane is sourced from PubChem (CID 58826078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).