trans-(1R,2R)-2-[(1,1-dioxothian-3-yl)amino]cyclobutan-1-ol

C9H17NO3S — CID 130610256

IUPACtrans-(1R,2R)-2-[(1,1-dioxothian-3-yl)amino]cyclobutan-1-ol
SMILESO=S1(=O)CCCC(N[C@@H]2CC[C@H]2O)C1
InChIInChI=1S/C9H17NO3S/c11-9-4-3-8(9)10-7-2-1-5-14(12,13)6-7/h7-11H,1-6H2/t7?,8-,9-/m1/s1
InChIKeyDVSQNJNNEZIDAI-CFCGPWAMSA-N
MW219.31 g/mol
LogP-0.32
Rot. Bonds2

About trans-(1R,2R)-2-[(1,1-dioxothian-3-yl)amino]cyclobutan-1-ol

trans-(1R,2R)-2-[(1,1-dioxothian-3-yl)amino]cyclobutan-1-ol (PubChem CID 130610256) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(1,1-dioxothian-3-yl)amino]cyclobutan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[(1,1-dioxothian-3-yl)amino]cyclobutan-1-ol
PubChem CID130610256
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC Nametrans-(1R,2R)-2-[(1,1-dioxothian-3-yl)amino]cyclobutan-1-ol
SMILESO=S1(=O)CCCC(N[C@@H]2CC[C@H]2O)C1
InChIInChI=1S/C9H17NO3S/c11-9-4-3-8(9)10-7-2-1-5-14(12,13)6-7/h7-11H,1-6H2/t7?,8-,9-/m1/s1
InChIKeyDVSQNJNNEZIDAI-CFCGPWAMSA-N
XLogP-0.32
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1,1-dioxothietan-3-yl)amino]cyclohexan-1-ol
CID 131160518
4-[(1,1-dioxothiolan-3-yl)amino]oxolan-3-ol
CID 60896483
4-[(1,1-dioxothian-3-yl)amino]-2,2,3-trimethylcyclohexane-1-carboxylic acid
CID 102631026
2-[(1,1-dioxothian-3-yl)amino]cycloheptane-1-carbonitrile
CID 63923529
1,1-dioxo-N-(8-tricyclo[5.2.1.02,6]decanyl)thian-3-amine
CID 63924783
(3R)-N-cyclopentyl-1,1-dioxothiolan-3-amine
CID 7129043
N-(1,1-dioxothian-3-yl)oxan-3-amine
CID 63923831
1-cyclobutyl-3-(1,1-dioxothian-3-yl)urea
CID 104600925
(3S,4R)-4-(cycloheptylamino)-1,1-dioxothiolan-3-ol
CID 51889318
N-(2-adamantyl)-1,1-dioxothian-3-amine
CID 63921811
1,1-dioxo-N-(2-piperidin-2-ylcyclohexyl)thian-3-amine
CID 79541542
N-(2-imidazol-1-ylcyclopentyl)-1,1-dioxothian-3-amine
CID 63921817

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[(1,1-dioxothian-3-yl)amino]cyclobutan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[(1,1-dioxothian-3-yl)amino]cyclobutan-1-ol (CID 130610256) is trans-(1R,2R)-2-[(1,1-dioxothian-3-yl)amino]cyclobutan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[(1,1-dioxothian-3-yl)amino]cyclobutan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[(1,1-dioxothian-3-yl)amino]cyclobutan-1-ol is O=S1(=O)CCCC(N[C@@H]2CC[C@H]2O)C1.
What is the InChIKey of trans-(1R,2R)-2-[(1,1-dioxothian-3-yl)amino]cyclobutan-1-ol?
The InChIKey is DVSQNJNNEZIDAI-CFCGPWAMSA-N. The full InChI is InChI=1S/C9H17NO3S/c11-9-4-3-8(9)10-7-2-1-5-14(12,13)6-7/h7-11H,1-6H2/t7?,8-,9-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[(1,1-dioxothian-3-yl)amino]cyclobutan-1-ol?
trans-(1R,2R)-2-[(1,1-dioxothian-3-yl)amino]cyclobutan-1-ol has a molecular weight of 219.31 g/mol, XLogP of -0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[(1,1-dioxothian-3-yl)amino]cyclobutan-1-ol is sourced from PubChem (CID 130610256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).