1-propan-2-yl-3-(thiolan-3-ylmethyl)urea

C9H18N2OS — CID 107295543

IUPAC1-propan-2-yl-3-(thiolan-3-ylmethyl)urea
SMILESCC(C)NC(=O)NCC1CCSC1
InChIInChI=1S/C9H18N2OS/c1-7(2)11-9(12)10-5-8-3-4-13-6-8/h7-8H,3-6H2,1-2H3,(H2,10,11,12)
InChIKeyKSGUUEQDZFJWSI-UHFFFAOYSA-N
MW202.32 g/mol
LogP1.45
Rot. Bonds3

About 1-propan-2-yl-3-(thiolan-3-ylmethyl)urea

1-propan-2-yl-3-(thiolan-3-ylmethyl)urea (PubChem CID 107295543) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is 1-propan-2-yl-3-(thiolan-3-ylmethyl)urea.

Molecular Properties

Compound Name1-propan-2-yl-3-(thiolan-3-ylmethyl)urea
PubChem CID107295543
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC Name1-propan-2-yl-3-(thiolan-3-ylmethyl)urea
SMILESCC(C)NC(=O)NCC1CCSC1
InChIInChI=1S/C9H18N2OS/c1-7(2)11-9(12)10-5-8-3-4-13-6-8/h7-8H,3-6H2,1-2H3,(H2,10,11,12)
InChIKeyKSGUUEQDZFJWSI-UHFFFAOYSA-N
XLogP1.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-(thiolan-3-ylmethylcarbamoylamino)butanoic acid
CID 107297388
3-methyl-2-(thiolan-3-ylmethylcarbamoylamino)pentanoic acid
CID 107297553
1-propan-2-yl-3-(thiolan-3-ylmethyl)thiourea
CID 107295534
1-(cyclopentylmethyl)-3-propan-2-ylurea
CID 84521639
1-cyclopropyl-3-(thiolan-3-ylmethyl)urea
CID 107295545
4-methyl-5-(thiolan-3-ylmethylcarbamoylamino)pentanoic acid
CID 107297551
2-hydroxy-3-(thiolan-3-ylmethylcarbamoylamino)propanoic acid
CID 107297615
2-bromo-3-methyl-N-(thiolan-3-ylmethyl)butanamide
CID 107295512
2-(thiolan-3-ylmethylcarbamoylamino)pent-4-ynoic acid
CID 107297330
(2S)-2-amino-4-methyl-N-(thiolan-3-ylmethyl)pentanamide
CID 107296003
(2S)-2-phenyl-2-(thiolan-3-ylmethylcarbamoylamino)acetic acid
CID 107297590
3-(thiolan-3-ylmethylcarbamoylamino)propanoic acid
CID 107297506

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-(thiolan-3-ylmethyl)urea?
The IUPAC name of 1-propan-2-yl-3-(thiolan-3-ylmethyl)urea (CID 107295543) is 1-propan-2-yl-3-(thiolan-3-ylmethyl)urea.
What is the SMILES notation for 1-propan-2-yl-3-(thiolan-3-ylmethyl)urea?
The canonical SMILES for 1-propan-2-yl-3-(thiolan-3-ylmethyl)urea is CC(C)NC(=O)NCC1CCSC1.
What is the InChIKey of 1-propan-2-yl-3-(thiolan-3-ylmethyl)urea?
The InChIKey is KSGUUEQDZFJWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-7(2)11-9(12)10-5-8-3-4-13-6-8/h7-8H,3-6H2,1-2H3,(H2,10,11,12).
What are the key properties of 1-propan-2-yl-3-(thiolan-3-ylmethyl)urea?
1-propan-2-yl-3-(thiolan-3-ylmethyl)urea has a molecular weight of 202.32 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(thiolan-3-ylmethyl)urea is sourced from PubChem (CID 107295543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).