cis-(1R,2R)-2-(2-methylpropylcarbamoyl)cyclopropane-1-sulfinic acid

C8H15NO3S — CID 174688032

IUPACcis-(1R,2R)-2-(2-methylpropylcarbamoyl)cyclopropane-1-sulfinic acid
SMILESCC(C)CNC(=O)[C@H]1C[C@H]1S(=O)O
InChIInChI=1S/C8H15NO3S/c1-5(2)4-9-8(10)6-3-7(6)13(11)12/h5-7H,3-4H2,1-2H3,(H,9,10)(H,11,12)/t6-,7+/m0/s1
InChIKeyYQGKSFCBSCJGHZ-NKWVEPMBSA-N
MW205.28 g/mol
LogP0.37
Rot. Bonds4

About cis-(1R,2R)-2-(2-methylpropylcarbamoyl)cyclopropane-1-sulfinic acid

cis-(1R,2R)-2-(2-methylpropylcarbamoyl)cyclopropane-1-sulfinic acid (PubChem CID 174688032) has the molecular formula C8H15NO3S and a molecular weight of 205.28 g/mol. Its IUPAC name is cis-(1R,2R)-2-(2-methylpropylcarbamoyl)cyclopropane-1-sulfinic acid.

Molecular Properties

Compound Namecis-(1R,2R)-2-(2-methylpropylcarbamoyl)cyclopropane-1-sulfinic acid
PubChem CID174688032
Molecular FormulaC8H15NO3S
Molecular Weight205.28 g/mol
Exact Mass205.08
IUPAC Namecis-(1R,2R)-2-(2-methylpropylcarbamoyl)cyclopropane-1-sulfinic acid
SMILESCC(C)CNC(=O)[C@H]1C[C@H]1S(=O)O
InChIInChI=1S/C8H15NO3S/c1-5(2)4-9-8(10)6-3-7(6)13(11)12/h5-7H,3-4H2,1-2H3,(H,9,10)(H,11,12)/t6-,7+/m0/s1
InChIKeyYQGKSFCBSCJGHZ-NKWVEPMBSA-N
XLogP0.37
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Butanoyltaurine
CID 85956605
2-(Cyclopropanecarbonylamino)ethanesulfonyl fluoride
CID 166409042
3-(2-Methylpropanoylamino)propane-1-sulfonic acid
CID 9803314
3-(Butanoylamino)propane-1-sulfonic acid
CID 9804102
3-Acetamido-2-methylpropane-1-sulfonic acid
CID 9877631
CID 9881137
CID 9881137
3-(3-Methylbutanoylamino)propane-1-sulfonic acid
CID 12083209
3-(3-Methylbutanoylamino)propane-1-sulfonate
CID 17907960
3-(2-Methylbutanoylamino)propane-1-sulfonic acid
CID 17907970
4-(2-Methylbutanoylamino)butane-1-sulfonate
CID 20764929
4-(2-Methylbutanoylamino)butane-1-sulfonic acid
CID 20764930
2-(2-Methylbutanoylamino)ethanesulfonic acid
CID 57895927

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-(2-methylpropylcarbamoyl)cyclopropane-1-sulfinic acid?
The IUPAC name of cis-(1R,2R)-2-(2-methylpropylcarbamoyl)cyclopropane-1-sulfinic acid (CID 174688032) is cis-(1R,2R)-2-(2-methylpropylcarbamoyl)cyclopropane-1-sulfinic acid.
What is the SMILES notation for cis-(1R,2R)-2-(2-methylpropylcarbamoyl)cyclopropane-1-sulfinic acid?
The canonical SMILES for cis-(1R,2R)-2-(2-methylpropylcarbamoyl)cyclopropane-1-sulfinic acid is CC(C)CNC(=O)[C@H]1C[C@H]1S(=O)O.
What is the InChIKey of cis-(1R,2R)-2-(2-methylpropylcarbamoyl)cyclopropane-1-sulfinic acid?
The InChIKey is YQGKSFCBSCJGHZ-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H15NO3S/c1-5(2)4-9-8(10)6-3-7(6)13(11)12/h5-7H,3-4H2,1-2H3,(H,9,10)(H,11,12)/t6-,7+/m0/s1.
What are the key properties of cis-(1R,2R)-2-(2-methylpropylcarbamoyl)cyclopropane-1-sulfinic acid?
cis-(1R,2R)-2-(2-methylpropylcarbamoyl)cyclopropane-1-sulfinic acid has a molecular weight of 205.28 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-(2-methylpropylcarbamoyl)cyclopropane-1-sulfinic acid is sourced from PubChem (CID 174688032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).