(2S)-1-N-cyclopropyl-1-N-(dimethylsulfamoyl)-3,3-dimethyl-2-N-propan-2-ylbutane-1,2-diamine

C14H31N3O2S — CID 58821568

IUPAC(2S)-1-N-cyclopropyl-1-N-(dimethylsulfamoyl)-3,3-dimethyl-2-N-propan-2-ylbutane-1,2-diamine
SMILESCC(C)N[C@H](CN(C1CC1)S(=O)(=O)N(C)C)C(C)(C)C
InChIInChI=1S/C14H31N3O2S/c1-11(2)15-13(14(3,4)5)10-17(12-8-9-12)20(18,19)16(6)7/h11-13,15H,8-10H2,1-7H3/t13-/m1/s1
InChIKeySWMSYDMPKUNJTD-CYBMUJFWSA-N
MW305.49 g/mol
LogP1.67
Rot. Bonds7

About (2S)-1-N-cyclopropyl-1-N-(dimethylsulfamoyl)-3,3-dimethyl-2-N-propan-2-ylbutane-1,2-diamine

(2S)-1-N-cyclopropyl-1-N-(dimethylsulfamoyl)-3,3-dimethyl-2-N-propan-2-ylbutane-1,2-diamine (PubChem CID 58821568) has the molecular formula C14H31N3O2S and a molecular weight of 305.49 g/mol. Its IUPAC name is (2S)-1-N-cyclopropyl-1-N-(dimethylsulfamoyl)-3,3-dimethyl-2-N-propan-2-ylbutane-1,2-diamine.

Molecular Properties

Compound Name(2S)-1-N-cyclopropyl-1-N-(dimethylsulfamoyl)-3,3-dimethyl-2-N-propan-2-ylbutane-1,2-diamine
PubChem CID58821568
Molecular FormulaC14H31N3O2S
Molecular Weight305.49 g/mol
Exact Mass305.21
IUPAC Name(2S)-1-N-cyclopropyl-1-N-(dimethylsulfamoyl)-3,3-dimethyl-2-N-propan-2-ylbutane-1,2-diamine
SMILESCC(C)N[C@H](CN(C1CC1)S(=O)(=O)N(C)C)C(C)(C)C
InChIInChI=1S/C14H31N3O2S/c1-11(2)15-13(14(3,4)5)10-17(12-8-9-12)20(18,19)16(6)7/h11-13,15H,8-10H2,1-7H3/t13-/m1/s1
InChIKeySWMSYDMPKUNJTD-CYBMUJFWSA-N
XLogP1.67
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-1-N-cyclopropyl-1-N-(dimethylsulfamoyl)-3,3-dimethyl-2-N-propan-2-ylbutane-1,2-diamine with MolForge

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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)-1-N-cyclopropyl-1-N-(dimethylsulfamoyl)-3,3-dimethyl-2-N-propan-2-ylbutane-1,2-diamine?
The IUPAC name of (2S)-1-N-cyclopropyl-1-N-(dimethylsulfamoyl)-3,3-dimethyl-2-N-propan-2-ylbutane-1,2-diamine (CID 58821568) is (2S)-1-N-cyclopropyl-1-N-(dimethylsulfamoyl)-3,3-dimethyl-2-N-propan-2-ylbutane-1,2-diamine.
What is the SMILES notation for (2S)-1-N-cyclopropyl-1-N-(dimethylsulfamoyl)-3,3-dimethyl-2-N-propan-2-ylbutane-1,2-diamine?
The canonical SMILES for (2S)-1-N-cyclopropyl-1-N-(dimethylsulfamoyl)-3,3-dimethyl-2-N-propan-2-ylbutane-1,2-diamine is CC(C)N[C@H](CN(C1CC1)S(=O)(=O)N(C)C)C(C)(C)C.
What is the InChIKey of (2S)-1-N-cyclopropyl-1-N-(dimethylsulfamoyl)-3,3-dimethyl-2-N-propan-2-ylbutane-1,2-diamine?
The InChIKey is SWMSYDMPKUNJTD-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H31N3O2S/c1-11(2)15-13(14(3,4)5)10-17(12-8-9-12)20(18,19)16(6)7/h11-13,15H,8-10H2,1-7H3/t13-/m1/s1.
What are the key properties of (2S)-1-N-cyclopropyl-1-N-(dimethylsulfamoyl)-3,3-dimethyl-2-N-propan-2-ylbutane-1,2-diamine?
(2S)-1-N-cyclopropyl-1-N-(dimethylsulfamoyl)-3,3-dimethyl-2-N-propan-2-ylbutane-1,2-diamine has a molecular weight of 305.49 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-cyclopropyl-1-N-(dimethylsulfamoyl)-3,3-dimethyl-2-N-propan-2-ylbutane-1,2-diamine is sourced from PubChem (CID 58821568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).