2-(carbamothioylamino)-N-propylpropanamide

C7H15N3OS — CID 61476796

IUPAC2-(carbamothioylamino)-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC(N)=S
InChIInChI=1S/C7H15N3OS/c1-3-4-9-6(11)5(2)10-7(8)12/h5H,3-4H2,1-2H3,(H,9,11)(H3,8,10,12)
InChIKeyARAMTFYZSGIOHJ-UHFFFAOYSA-N
MW189.28 g/mol
LogP-0.27
Rot. Bonds4

About 2-(carbamothioylamino)-N-propylpropanamide

2-(carbamothioylamino)-N-propylpropanamide (PubChem CID 61476796) has the molecular formula C7H15N3OS and a molecular weight of 189.28 g/mol. Its IUPAC name is 2-(carbamothioylamino)-N-propylpropanamide.

Molecular Properties

Compound Name2-(carbamothioylamino)-N-propylpropanamide
PubChem CID61476796
Molecular FormulaC7H15N3OS
Molecular Weight189.28 g/mol
Exact Mass189.09
IUPAC Name2-(carbamothioylamino)-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC(N)=S
InChIInChI=1S/C7H15N3OS/c1-3-4-9-6(11)5(2)10-7(8)12/h5H,3-4H2,1-2H3,(H,9,11)(H3,8,10,12)
InChIKeyARAMTFYZSGIOHJ-UHFFFAOYSA-N
XLogP-0.27
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]propanamide
CID 60659584
ethyl 2-(carbamothioylamino)propanoate
CID 61498979
2-(propan-2-ylcarbamoylamino)-N-propylpropanamide
CID 115579917
(2S)-2-[(2-chloroacetyl)amino]-N-propylpropanamide
CID 9207769
methyl 2-(propylcarbamothioylamino)propanoate
CID 116507684
N-propyl-2-[(2,2,2-trifluoroacetyl)amino]propanamide
CID 62492310
2-[(4-amino-4-sulfanylidenebutan-2-yl)-methylamino]-N-propylpropanamide
CID 63224149
N-[1-oxo-1-(propylamino)propan-2-yl]cyclopropanecarboxamide
CID 60659669
4-oxo-4-[[(2R)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]propan-2-yl]amino]propan-2-yl]amino]butanoic acid
CID 95989133
2-(carbamothioylamino)propanoic acid;hydrochloride
CID 141048433
2-amino-N-propylpropanamide;ethane
CID 142837247
2-formamido-N-propylpropanamide
CID 64990441

Frequently Asked Questions

What is the IUPAC name of 2-(carbamothioylamino)-N-propylpropanamide?
The IUPAC name of 2-(carbamothioylamino)-N-propylpropanamide (CID 61476796) is 2-(carbamothioylamino)-N-propylpropanamide.
What is the SMILES notation for 2-(carbamothioylamino)-N-propylpropanamide?
The canonical SMILES for 2-(carbamothioylamino)-N-propylpropanamide is CCCNC(=O)C(C)NC(N)=S.
What is the InChIKey of 2-(carbamothioylamino)-N-propylpropanamide?
The InChIKey is ARAMTFYZSGIOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3OS/c1-3-4-9-6(11)5(2)10-7(8)12/h5H,3-4H2,1-2H3,(H,9,11)(H3,8,10,12).
What are the key properties of 2-(carbamothioylamino)-N-propylpropanamide?
2-(carbamothioylamino)-N-propylpropanamide has a molecular weight of 189.28 g/mol, XLogP of -0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamothioylamino)-N-propylpropanamide is sourced from PubChem (CID 61476796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).