1-(cyclopropylamino)-N-(1-methylsulfanylpropan-2-yl)propane-2-sulfonamide

C10H22N2O2S2 — CID 106079574

IUPAC1-(cyclopropylamino)-N-(1-methylsulfanylpropan-2-yl)propane-2-sulfonamide
SMILESCSCC(C)NS(=O)(=O)C(C)CNC1CC1
InChIInChI=1S/C10H22N2O2S2/c1-8(7-15-3)12-16(13,14)9(2)6-11-10-4-5-10/h8-12H,4-7H2,1-3H3
InChIKeyNJPIOKIKXXRJEG-UHFFFAOYSA-N
MW266.43 g/mol
LogP0.80
Rot. Bonds8

About 1-(cyclopropylamino)-N-(1-methylsulfanylpropan-2-yl)propane-2-sulfonamide

1-(cyclopropylamino)-N-(1-methylsulfanylpropan-2-yl)propane-2-sulfonamide (PubChem CID 106079574) has the molecular formula C10H22N2O2S2 and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-(cyclopropylamino)-N-(1-methylsulfanylpropan-2-yl)propane-2-sulfonamide.

Molecular Properties

Compound Name1-(cyclopropylamino)-N-(1-methylsulfanylpropan-2-yl)propane-2-sulfonamide
PubChem CID106079574
Molecular FormulaC10H22N2O2S2
Molecular Weight266.43 g/mol
Exact Mass266.11
IUPAC Name1-(cyclopropylamino)-N-(1-methylsulfanylpropan-2-yl)propane-2-sulfonamide
SMILESCSCC(C)NS(=O)(=O)C(C)CNC1CC1
InChIInChI=1S/C10H22N2O2S2/c1-8(7-15-3)12-16(13,14)9(2)6-11-10-4-5-10/h8-12H,4-7H2,1-3H3
InChIKeyNJPIOKIKXXRJEG-UHFFFAOYSA-N
XLogP0.80
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropylamino)-N-(1-cyclopropylpropan-2-yl)propane-2-sulfonamide
CID 106065688
1-(cyclopropylamino)-N-[1-(dimethylamino)propan-2-yl]propane-2-sulfonamide
CID 106074303
1-(cyclopropylamino)-N-(5-methylsulfanylpentyl)propane-2-sulfonamide
CID 106093649
N-cyclooctyl-1-(cyclopropylamino)propane-2-sulfonamide
CID 106058802
1-(cyclopropylamino)-N-(3-methylbutyl)propane-2-sulfonamide
CID 106059038
1-(cyclopropylamino)-N-(1-methylpyrrolidin-3-yl)propane-2-sulfonamide
CID 106052302
1-(cyclopropylamino)-N-(1-phenylpropyl)propane-2-sulfonamide
CID 106055064
1-(cyclopropylamino)-N-piperidin-1-ylpropane-2-sulfonamide
CID 106075218
1-(cyclopropylamino)-N-(1,1-dioxothian-3-yl)propane-2-sulfonamide
CID 106065916
N-[2-(3-methylbutylsulfonyl)propyl]cyclopropanamine
CID 107757830
1-(cyclopropylamino)-N-[1-(3-fluorophenyl)ethyl]propane-2-sulfonamide
CID 106000348
1-(cyclopropylamino)-N-(1-thiophen-2-ylpropyl)propane-2-sulfonamide
CID 106053417

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-N-(1-methylsulfanylpropan-2-yl)propane-2-sulfonamide?
The IUPAC name of 1-(cyclopropylamino)-N-(1-methylsulfanylpropan-2-yl)propane-2-sulfonamide (CID 106079574) is 1-(cyclopropylamino)-N-(1-methylsulfanylpropan-2-yl)propane-2-sulfonamide.
What is the SMILES notation for 1-(cyclopropylamino)-N-(1-methylsulfanylpropan-2-yl)propane-2-sulfonamide?
The canonical SMILES for 1-(cyclopropylamino)-N-(1-methylsulfanylpropan-2-yl)propane-2-sulfonamide is CSCC(C)NS(=O)(=O)C(C)CNC1CC1.
What is the InChIKey of 1-(cyclopropylamino)-N-(1-methylsulfanylpropan-2-yl)propane-2-sulfonamide?
The InChIKey is NJPIOKIKXXRJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S2/c1-8(7-15-3)12-16(13,14)9(2)6-11-10-4-5-10/h8-12H,4-7H2,1-3H3.
What are the key properties of 1-(cyclopropylamino)-N-(1-methylsulfanylpropan-2-yl)propane-2-sulfonamide?
1-(cyclopropylamino)-N-(1-methylsulfanylpropan-2-yl)propane-2-sulfonamide has a molecular weight of 266.43 g/mol, XLogP of 0.80, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-N-(1-methylsulfanylpropan-2-yl)propane-2-sulfonamide is sourced from PubChem (CID 106079574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).