1-[(2R)-butan-2-yl]-3-[3-[[(2R)-butan-2-yl]carbamothioylamino]-2,2-dimethylpropyl]thiourea

C15H32N4S2 — CID 29057493

IUPAC1-[(2R)-butan-2-yl]-3-[3-[[(2R)-butan-2-yl]carbamothioylamino]-2,2-dimethylpropyl]thiourea
SMILESCC[C@@H](C)NC(=S)NCC(C)(C)CNC(=S)N[C@H](C)CC
InChIInChI=1S/C15H32N4S2/c1-7-11(3)18-13(20)16-9-15(5,6)10-17-14(21)19-12(4)8-2/h11-12H,7-10H2,1-6H3,(H2,16,18,20)(H2,17,19,21)/t11-,12-/m1/s1
InChIKeyGGYUKBKAQFNASM-VXGBXAGGSA-N
MW332.58 g/mol
LogP2.54
Rot. Bonds8

About 1-[(2R)-butan-2-yl]-3-[3-[[(2R)-butan-2-yl]carbamothioylamino]-2,2-dimethylpropyl]thiourea

1-[(2R)-butan-2-yl]-3-[3-[[(2R)-butan-2-yl]carbamothioylamino]-2,2-dimethylpropyl]thiourea (PubChem CID 29057493) has the molecular formula C15H32N4S2 and a molecular weight of 332.58 g/mol. Its IUPAC name is 1-[(2R)-butan-2-yl]-3-[3-[[(2R)-butan-2-yl]carbamothioylamino]-2,2-dimethylpropyl]thiourea.

Molecular Properties

Compound Name1-[(2R)-butan-2-yl]-3-[3-[[(2R)-butan-2-yl]carbamothioylamino]-2,2-dimethylpropyl]thiourea
PubChem CID29057493
Molecular FormulaC15H32N4S2
Molecular Weight332.58 g/mol
Exact Mass332.21
IUPAC Name1-[(2R)-butan-2-yl]-3-[3-[[(2R)-butan-2-yl]carbamothioylamino]-2,2-dimethylpropyl]thiourea
SMILESCC[C@@H](C)NC(=S)NCC(C)(C)CNC(=S)N[C@H](C)CC
InChIInChI=1S/C15H32N4S2/c1-7-11(3)18-13(20)16-9-15(5,6)10-17-14(21)19-12(4)8-2/h11-12H,7-10H2,1-6H3,(H2,16,18,20)(H2,17,19,21)/t11-,12-/m1/s1
InChIKeyGGYUKBKAQFNASM-VXGBXAGGSA-N
XLogP2.54
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.58
LogP ≤ 52.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-butan-2-yl]-3-[3-[[(2R)-butan-2-yl]carbamothioylamino]-2,2-dimethylpropyl]thiourea?
The IUPAC name of 1-[(2R)-butan-2-yl]-3-[3-[[(2R)-butan-2-yl]carbamothioylamino]-2,2-dimethylpropyl]thiourea (CID 29057493) is 1-[(2R)-butan-2-yl]-3-[3-[[(2R)-butan-2-yl]carbamothioylamino]-2,2-dimethylpropyl]thiourea.
What is the SMILES notation for 1-[(2R)-butan-2-yl]-3-[3-[[(2R)-butan-2-yl]carbamothioylamino]-2,2-dimethylpropyl]thiourea?
The canonical SMILES for 1-[(2R)-butan-2-yl]-3-[3-[[(2R)-butan-2-yl]carbamothioylamino]-2,2-dimethylpropyl]thiourea is CC[C@@H](C)NC(=S)NCC(C)(C)CNC(=S)N[C@H](C)CC.
What is the InChIKey of 1-[(2R)-butan-2-yl]-3-[3-[[(2R)-butan-2-yl]carbamothioylamino]-2,2-dimethylpropyl]thiourea?
The InChIKey is GGYUKBKAQFNASM-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H32N4S2/c1-7-11(3)18-13(20)16-9-15(5,6)10-17-14(21)19-12(4)8-2/h11-12H,7-10H2,1-6H3,(H2,16,18,20)(H2,17,19,21)/t11-,12-/m1/s1.
What are the key properties of 1-[(2R)-butan-2-yl]-3-[3-[[(2R)-butan-2-yl]carbamothioylamino]-2,2-dimethylpropyl]thiourea?
1-[(2R)-butan-2-yl]-3-[3-[[(2R)-butan-2-yl]carbamothioylamino]-2,2-dimethylpropyl]thiourea has a molecular weight of 332.58 g/mol, XLogP of 2.54, 8 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-butan-2-yl]-3-[3-[[(2R)-butan-2-yl]carbamothioylamino]-2,2-dimethylpropyl]thiourea is sourced from PubChem (CID 29057493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).