2-(cyclopropylsulfamoylamino)-2-methylpropanethioamide

C7H15N3O2S2 — CID 114808113

IUPAC2-(cyclopropylsulfamoylamino)-2-methylpropanethioamide
SMILESCC(C)(NS(=O)(=O)NC1CC1)C(N)=S
InChIInChI=1S/C7H15N3O2S2/c1-7(2,6(8)13)10-14(11,12)9-5-3-4-5/h5,9-10H,3-4H2,1-2H3,(H2,8,13)
InChIKeyINJLMUOHQYVEAX-UHFFFAOYSA-N
MW237.35 g/mol
LogP-0.36
Rot. Bonds5

About 2-(cyclopropylsulfamoylamino)-2-methylpropanethioamide

2-(cyclopropylsulfamoylamino)-2-methylpropanethioamide (PubChem CID 114808113) has the molecular formula C7H15N3O2S2 and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-(cyclopropylsulfamoylamino)-2-methylpropanethioamide.

Molecular Properties

Compound Name2-(cyclopropylsulfamoylamino)-2-methylpropanethioamide
PubChem CID114808113
Molecular FormulaC7H15N3O2S2
Molecular Weight237.35 g/mol
Exact Mass237.06
IUPAC Name2-(cyclopropylsulfamoylamino)-2-methylpropanethioamide
SMILESCC(C)(NS(=O)(=O)NC1CC1)C(N)=S
InChIInChI=1S/C7H15N3O2S2/c1-7(2,6(8)13)10-14(11,12)9-5-3-4-5/h5,9-10H,3-4H2,1-2H3,(H2,8,13)
InChIKeyINJLMUOHQYVEAX-UHFFFAOYSA-N
XLogP-0.36
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopropylsulfamoylamino)-N'-hydroxy-2-methylbutanimidamide
CID 104978341
2-(cyclopropylsulfamoylamino)-2-methylbutanimidamide
CID 114813404
N-(hydrazinesulfonyl)cyclopropanamine
CID 114807411
1-(cyclopropylsulfamoylamino)cyclooctane-1-carbothioamide
CID 114808198
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-cyclopropylpropanamide
CID 83154806
3-(cyclopropylsulfamoylamino)-2,2-dimethylpropanoic acid
CID 114533437
2-[4-(methylsulfamoylamino)piperidin-1-yl]ethanethioamide
CID 114808399
3-[cyclopropylsulfamoyl(propan-2-yl)amino]propanethioamide
CID 114808224
(sulfamoylamino)cyclopropane
CID 21041394
1-N-(cyclopropylsulfamoyl)-2-ethylbutane-1,2-diamine
CID 114811238
(cyclopropylsulfamoylamino)methanol
CID 117126061
4-(cyclopropylsulfamoylamino)-3-methoxybenzenecarbothioamide
CID 114808530

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylsulfamoylamino)-2-methylpropanethioamide?
The IUPAC name of 2-(cyclopropylsulfamoylamino)-2-methylpropanethioamide (CID 114808113) is 2-(cyclopropylsulfamoylamino)-2-methylpropanethioamide.
What is the SMILES notation for 2-(cyclopropylsulfamoylamino)-2-methylpropanethioamide?
The canonical SMILES for 2-(cyclopropylsulfamoylamino)-2-methylpropanethioamide is CC(C)(NS(=O)(=O)NC1CC1)C(N)=S.
What is the InChIKey of 2-(cyclopropylsulfamoylamino)-2-methylpropanethioamide?
The InChIKey is INJLMUOHQYVEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2S2/c1-7(2,6(8)13)10-14(11,12)9-5-3-4-5/h5,9-10H,3-4H2,1-2H3,(H2,8,13).
What are the key properties of 2-(cyclopropylsulfamoylamino)-2-methylpropanethioamide?
2-(cyclopropylsulfamoylamino)-2-methylpropanethioamide has a molecular weight of 237.35 g/mol, XLogP of -0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylsulfamoylamino)-2-methylpropanethioamide is sourced from PubChem (CID 114808113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).